SCHEMBL739465

SCHEMBL739465

CC(C)OCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
CYP19A1 P11511 2/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAOB P27338 1/20 0.37
ABCB1 P08183 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP27B1 O15528 1/20 0.35
CYP24A1 Q07973 1/20 0.35

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
SCHEMBL649272 0.83 IDO1 (0.44)
SCHEMBL25996717 0.79 CYP3A4 (0.41) LOXL2CYP19A1TSHRL3MBTL1CYP1A2
SCHEMBL14499016 0.78 L3MBTL1 (0.45) LOXL2CYP19A1TSHRL3MBTL1CYP1A2
SCHEMBL18500501 0.78 LOXL2 (0.38) LOXL2CYP19A1CYP1A2CYP3A4CYP2C9
SCHEMBL12124949 0.78 LMNA (0.44) LOXL2CYP19A1CYP1A2CYP3A4CYP2C9
SCHEMBL24936695 0.77 CYP19A1 (0.45) CYP19A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29211441 0.77 CYP19A1 (0.45) CYP19A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24937323 0.77 CYP19A1 (0.45) CYP19A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15003 0.76 TSHR (0.52) TSHRL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL1337524 0.76 IDO1 (0.41) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834408-B2 Compounds for the treatment of SARS PURDUE RESEARCH FOUNDATION (US) 2023-12-05 US disclosed
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-11-09 US disclosed
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-11-09 US disclosed
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-7582611-B2 Treating disorders of gastric motility; decreasing side effects of erythromycin A PFIZER INC. (US) 2009-09-01 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
US-5422353-A Alzheimer*s disease, glaucoma treatment BOEHRINGER INGELHEIM KG (DE) 1995-06-06 US disclosed
EP-0325263-B1 TETRAHYDROPYRIDINE DERIVATIVES BOEHRINGER INGELHEIM KG (DE) 1992-09-23 EP disclosed
EP-0325263-A1 Tetrahydropyridine derivatives BOEHRINGER INGELHEIM KG (DE) 1989-07-26 EP 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 LOXL2 2200/4885CYP19A1 397/4885TSHR 3976/4885
US-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR LOXL2 4031/4885CYP19A1 3205/4885TSHR 3270/4885
US-20080293704-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 LOXL2 1405/4885CYP19A1 283/4885TSHR 2861/4885
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI LOXL2 1864/4885CYP19A1 433/4885TSHR 4268/4885
US-11834408-B2 Compounds for the treatment of SARS ACE2, SARS1, ACE LOXL2 2397/4885CYP19A1 3738/4885TSHR 4530/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 LOXL2 1412/4885CYP19A1 1912/4885TSHR 3224/4885
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE LOXL2 2281/4885CYP19A1 1853/4885TSHR 3951/4885
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, NR1I2 LOXL2 3486/4885CYP19A1 257/4885TSHR 573/4885
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H LOXL2 4586/4885CYP19A1 2991/4885TSHR 4832/4885

“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.