SCHEMBL4284692

SCHEMBL4284692

Cc1cc2ccccc2c(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 1/20 0.42
NCF1 P14598 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
PIN1 Q13526 1/20 0.41
GALR3 O60755 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27844899 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL28235893 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL29949484 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL13153171 0.80 KDM4E (0.40) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL9327979 0.79 IGFBP3 (0.52) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL29079315 0.79 MEN1 (0.52) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL754048 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL755479 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL756469 0.77 ALOX15 (0.46) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL17571419 0.77 KDM4E (0.46) ALDH1A1MEN1KMT2ACYP1A2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2024-07-02 US disclosed
CN-107074808-B Therapeutic compounds as orexin-1 receptor inhibitors 希四克斯探索有限公司 2021-03-02 CN disclosed
EP-3189043-B1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LTD (GB) 2020-11-18 EP disclosed
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LIMITED 2020-08-27 US disclosed
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2020-04-07 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR INDIVIOR INC. 2017-10-12 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
CN-107074808-A It is used as the therapeutic compound of the acceptor inhibitor of orexin 1 希四克斯探索有限公司 2017-08-18 CN disclosed
EP-3189043-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4x Discovery Limited (GB) 2017-07-12 EP disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
WO-2010117704-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed
US-20080312185-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES CHEN ZHIDONG 2008-12-18 US disclosed
US-20060270671-A1 Substituted 3-amino-thieno[2,3-b] pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7119102-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
EP-1692141-A1 SUBSTITUTED 3-AMINO-THIENO¬2,3-B| PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 EP disclosed
US-20060020135-A1 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2006-01-26 US disclosed
US-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-18 US disclosed
WO-2005056562-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKG, IKBKE ALDH1A1 3655/4885MEN1 2666/4885KMT2A 786/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885MEN1 4834/4885KMT2A 4038/4885
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R ALDH1A1 1458/4885MEN1 649/4885KMT2A 2362/4885
US-20060270671-A1 Substituted 3-amino-thieno[2,3-b] pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses CPS1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TK2 ALDH1A1 371/4885MEN1 1578/4885KMT2A 422/4885
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R ALDH1A1 1458/4885MEN1 649/4885KMT2A 2362/4885
US-20080312185-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES CPS1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TK2 ALDH1A1 371/4885MEN1 1578/4885KMT2A 422/4885
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R ALDH1A1 1458/4885MEN1 649/4885KMT2A 2362/4885
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R ALDH1A1 1458/4885MEN1 649/4885KMT2A 2362/4885
US-20060020135-A1 Long chain aliphatic alcohol derivatives and methods of making and using same ADH1C, ADH5, NAPRT ALDH1A1 111/4885MEN1 2292/4885KMT2A 2310/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.