SCHEMBL630468

SCHEMBL630468

Clc1ccc(-n2nc(-c3cccnc3)cc2Br)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
USP8 P40818 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 1/20 0.43
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RPA1 P27694 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KDR P35968 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
SCHEMBL10167894 0.85 MAPT (0.54) MAPTUSP8NPC1RAB9AGAA
SCHEMBL2577064 0.85 TSHR (0.51) MAPTUSP8NPC1RAB9AGAA
SCHEMBL10168067 0.84 MAPT (0.53) MAPTUSP8NPC1RAB9AGAA
SCHEMBL10168248 0.82 MAPT (0.51) MAPTUSP8NPC1RAB9AGAA
SCHEMBL13902032 0.82 MAPT (0.51) MAPTUSP8NPC1RAB9AGAA
SCHEMBL10168077 0.81 MAPT (0.50) MAPTUSP8NPC1RAB9AGAA
SCHEMBL13901964 0.80 USP8 (0.52) MAPTUSP8NPC1RAB9AGAA
SCHEMBL14495190 0.78 USP8 (0.50) MAPTUSP8NPC1RAB9AGAA
SCHEMBL14626290 0.78 MAPT (0.47) MAPTUSP8NPC1RAB9AGAA
SCHEMBL15070234 0.77 USP8 (0.49) MAPTUSP8NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-06-28 US disclosed
US-7166619-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY , INC. (US) 2007-01-23 US disclosed
US-7166619-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY , INC. (US) 2007-01-23 US disclosed
US-20040116425-A1 Prenylation inhibitors and methods of their synthesis and use X-CHEM, INC. 2004-06-17 US 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-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 MAPT 1219/4885USP8 2692/4885NPC1 84/4885

“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.