SCHEMBL5604369

SCHEMBL5604369

CSc1nccc(CC(=O)c2cccc(OCc3ccc(C#N)cc3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.53
RAB9A P51151 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAOB P27338 5/20 0.42
MAOA P21397 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
PTPN1 P18031 1/20 0.40
NR4A2 P43354 4/20 0.40
CYP19A1 P11511 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5605247 0.89 MAOB (0.53) SMPD1MAOBPTPN1NR4A2CYP19A1
SCHEMBL5604731 0.88 MAOB (0.56) SMPD1MAOBMAOAPTPN1NR4A2
SCHEMBL5604633 0.88 SMPD1 (0.53) SMPD1RAB9AMAOBMAOAPTPN1
SCHEMBL5747155 0.88 GPR132 (0.45) SMPD1MAOBMAOAPTPN1NR4A2
SCHEMBL5747022 0.83 GPR132 (0.52)
SCHEMBL1613170 0.82 KDR (0.46) RAB9A
SCHEMBL5746431 0.82 GPR132 (0.46) RAB9AMAOBPTPN1NR4A2
SCHEMBL27548592 0.81 SMPD1 (0.45) SMPD1RAB9ACYP11B1CYP11B2MAOB
SCHEMBL5604816 0.81 NPC1 (0.38) RAB9A
SCHEMBL5605266 0.79 ALDH1A1 (0.44) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499577-B1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES HOFFMANN LA ROCHE (CH) 2007-05-30 EP disclosed
US-6946471-B2 2-(2,6-Dichlorophenyl)-Diarylimidazoles HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US disclosed
EP-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP disclosed
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles BRANDT MICHAEL 2004-10-28 US disclosed
US-6790852-B2 HETEROCYCLIC NITROGEN COMPOUNDS SUCH AS 2-(2,6-DICHLOROPHENYL) -4-(3-BROMOPHENYL)-5-(2-(3- HYDROXYPROPYLAMINO)PYRIMIDIN-4-YL) -N-H-IMIDAZOLE, USED AS TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US disclosed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 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 (2 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-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles CYP2D6, CYP2F1, CYP1A2 SMPD1 798/4885RAB9A 2301/4885CYP11B1 37/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 SMPD1 808/4885RAB9A 2141/4885CYP11B1 53/4885

“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.