SCHEMBL3243566

SCHEMBL3243566

O=Cc1cccc(-c2ccc(OCc3ccccn3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRM5 P41594 4/20 0.43
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
HTR2C P28335 3/20 0.42
CDK8 P49336 1/20 0.41
CD274 Q9NZQ7 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
AXL P30530 1/20 0.38
PTGES O14684 1/20 0.38
SYK P43405 2/20 0.38
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL3241892 0.87 SMN1; SMN2 (0.40) KDM4EALDH1A1SMN1; SMN2GRM5CDK8
SCHEMBL29417058 0.83 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2GRM5TLR4
SCHEMBL13052590 0.83 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2GRM5TLR4
SCHEMBL3237662 0.79 SYK (0.54) SMN1; SMN2HSD17B1HSD17B2SYKAURKB
SCHEMBL3245556 0.78 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2GRM5HTR2C
SCHEMBL23406003 0.77 GRM5 (0.48) KDM4EALDH1A1SMN1; SMN2GRM5HTR2C
SCHEMBL29744012 0.77 GRM5 (0.48) KDM4EALDH1A1SMN1; SMN2GRM5HTR2C
SCHEMBL16180061 0.76 HSD17B1 (0.60) CDK8HSD17B1HSD17B2TRIM24TRIM33
SCHEMBL510249 0.76 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2TLR4TLR2
SCHEMBL3244438 0.75 CYP1A2 (0.52) ALDH1A1CDK8AXL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
EP-1589029-A2 Pyrazinone protease inhibitors Johnson & Johnson Pharmaceutical Research & Development L.L.C. (US) 2005-10-26 EP disclosed
US-20050209217-A1 3-Mercaptopyrrolidines as farnesyl protein transferase inhibitors BOYLE FRANCIS T 2005-09-22 US disclosed
US-6946468-B1 3-mercaptopyrrolidines as farnesyl protein transferase inhibitors ZENECA LIMITED (GB) 2005-09-20 US disclosed
US-6762170-B1 ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL SMITHKLINEBEECHAM CORPORATION 2004-07-13 US disclosed
EP-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP disclosed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 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 (1 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-20050209217-A1 3-Mercaptopyrrolidines as farnesyl protein transferase inhibitors FNTB, FNTA, KRAS KDM4E 3835/4885ALDH1A1 1024/4885SMN1; SMN2 4344/4885

“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.