SCHEMBL4428289

SCHEMBL4428289

CSc1nccc(CC(=O)c2cccc(Br)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.38
GLA P06280 1/20 0.38
PLAU P00749 1/20 0.37
MGAM O43451 1/20 0.37
AMY1A P0DUB6 1/20 0.37
GAA P10253 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
SCHEMBL5605781 0.86 ALDH1A1 (0.41) TDP1ALDH1A1MAPTRAB9ANPC1
SCHEMBL5605161 0.86 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ANPC1MEN1
SCHEMBL4423238 0.85 SYK (0.42) TDP1ALDH1A1GRM5PARP1PFKFB3
SCHEMBL3063975 0.85 MEN1 (0.42) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL13089951 0.85 RAB9A (0.40) ALDH1A1MAPTRAB9ANPC1MEN1
SCHEMBL2933353 0.84 RAB9A (0.42) ALDH1A1MAPTRAB9ANPC1MEN1
SCHEMBL14174031 0.83 ALDH1A1 (0.39) TDP1ALDH1A1MAPTRAB9ANPC1
SCHEMBL2926214 0.82 RAB9A (0.48) ALDH1A1RAB9ANPC1TSHRNPSR1
SCHEMBL5604816 0.80 NPC1 (0.38) TDP1ALDH1A1MAPTRAB9ANPC1
SCHEMBL5199273 0.79 GRM5 (0.55) TDP1ALDH1A1MAPTRAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678163-B1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
EP-1499577-B1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES HOFFMANN LA ROCHE (CH) 2007-05-30 EP disclosed
US-7169781-B2 Imidazole derivatives and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US disclosed
EP-1678163-A1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-12 EP disclosed
US-6946471-B2 2-(2,6-Dichlorophenyl)-Diarylimidazoles HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US disclosed
US-20050113342-A1 Novel imidazole derivatives and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-26 US disclosed
WO-2005040154-A1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO 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 (3 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-20050113342-A1 Novel imidazole derivatives and their use as pharmaceutical agents TUBB6, ABCB1, SDHA TDP1 1012/4885ALDH1A1 265/4885MAPT 1289/4885
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles CYP2D6, CYP2F1, CYP1A2 TDP1 2263/4885ALDH1A1 115/4885MAPT 4365/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 TDP1 2519/4885ALDH1A1 89/4885MAPT 4495/4885

“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.