SCHEMBL584299

SCHEMBL584299

[c]1ccccc1-c1cccnn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.35
GOT1 P17174 1/20 0.32
DHODH Q02127 1/20 0.32
HTR2C P28335 1/20 0.31
TP53 P04637 2/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CCR1 P32246 1/20 0.30

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
SCHEMBL4721656 0.78
SCHEMBL37815 0.75 KDM4E (0.54) TP53KDM4ELMNANPC1ALDH1A1
SCHEMBL1925074 0.73 GOT1 (0.33) GOT1TP53
SCHEMBL30792004 0.72 GOT1 (0.46) HDAC4GOT1DHODHHTR2CTP53
SCHEMBL1456807 0.72 GOT1 (0.46) HDAC4GOT1DHODHHTR2CTP53
SCHEMBL29442588 0.72 GOT1 (0.46) HDAC4GOT1DHODHHTR2CTP53
SCHEMBL1521688 0.72 APLNR (0.31) TP53KDM4ELMNANPC1ALDH1A1
SCHEMBL715745 0.72 RAB9A (0.44) TP53NPC1PKMHPGDRAB9A
SCHEMBL969567 0.71
SCHEMBL115447 0.69 CYP3A4 (0.33) ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903364-A Thiazoline urea and amide derivatives and methods of use thereof ABBOTT LAB 2010-12-01 CN claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
CN-101815711-A Polycyclic indazole derivatives and their use as erk inhibitors for the treatment of cancer SCHERING CORP 2010-08-25 CN claimed
EP-2155722-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2010-02-24 EP claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 WO claimed
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 CN disclosed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-20030158200-A1 Pyridazinyl phenyl hydrazones useful against congestive heart failure ORION CORPORATION (FI) 2003-08-21 US disclosed
CN-1418196-A Pyridazinylphenylhydrazones for anti-congestive heart failure ORION CORP (FI) 2003-05-14 CN disclosed
CN-1418196-A Pyridazinylphenylhydrazones for anti-congestive heart failure ORION CORP (FI) 2003-05-14 CN disclosed
EP-1265871-A1 PYRIDAZINYL PHENYL HYDRAZONES USEFUL AGAINST CONGESTIVE HEART FAILURE ORION CORPORATION (FI) 2002-12-18 EP disclosed
WO-2001068611-A1 PYRIDAZINYL PHENYL HYDRAZONES USEFUL AGAINST CONGESTIVE HEART FAILURE ORION CORPORATION (FI) 2001-09-20 WO disclosed
EP-0008711-B1 A METHOD OF PREPARING A 2-HYDROXY-3-ISOPROPYL OR A 2-HYDROXY-3-TERT-BUTYLAMINOPROPYL AROMATIC ETHER SMITHKLINE BECKMAN CORPORATION (US) 1981-11-04 EP disclosed
EP-0008711-A1 A method of preparing a 2-hydroxy-3-isopropyl or a 2-hydroxy-3-tert-butylaminopropyl aromatic ether SMITHKLINE BECKMAN CORPORATION (US) 1980-03-19 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 (4 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-20030158200-A1 Pyridazinyl phenyl hydrazones useful against congestive heart failure FABP3, TNNI3, TNNT2 HDAC4 552/4885GOT1 1021/4885DHODH 4210/4885
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM HDAC4 742/4885GOT1 1402/4885DHODH 2391/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 HDAC4 3731/4885GOT1 612/4885DHODH 2979/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 HDAC4 3731/4885GOT1 612/4885DHODH 2979/4885

“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.