SCHEMBL5604633

SCHEMBL5604633

COc1ccc(COc2cccc(C(=O)Cc3ccnc(SC)n3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.53
MAOB P27338 6/20 0.43
RAB9A P51151 3/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTPN1 P18031 2/20 0.43
MAOA P21397 3/20 0.42
SLC2A1 P11166 3/20 0.42
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SLC2A4 P14672 1/20 0.41

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 0.91 MAOB (0.53) SMPD1MAOBSMN1; SMN2PTPN1ALDH1A1
SCHEMBL5604731 0.90 MAOB (0.56) SMPD1MAOBMRGPRX4PTPN1MAOA
SCHEMBL5747155 0.90 GPR132 (0.45) SMPD1MAOBPTPN1MAOASLC2A1
SCHEMBL5604369 0.88 SMPD1 (0.53) SMPD1MAOBRAB9APTPN1MAOA
SCHEMBL2254900 0.86 SMPD1 (0.55) SMPD1MAOBRAB9AMRGPRX4TDP1
SCHEMBL5747022 0.85 GPR132 (0.52)
SCHEMBL5604816 0.84 NPC1 (0.38) RAB9ATDP1SMN1; SMN2NPC1ALDH1A1
SCHEMBL5746431 0.84 GPR132 (0.46) MAOBRAB9ANPC1PTPN1MAPT
SCHEMBL4408276 0.83 MAPT (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5605266 0.81 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1

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 798/4885MAOB 414/4885RAB9A 2301/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 SMPD1 808/4885MAOB 476/4885RAB9A 2141/4885

“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.