SCHEMBL1676520

SCHEMBL1676520

COC(=O)c1cccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(Br)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
DRD2 P14416 1/20 0.41
ALPL P05186 1/20 0.38
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
PTGER1 P34995 1/20 0.35
ALDH1A1 P00352 2/20 0.35
DHODH Q02127 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL1676522 1.00 MAPT (0.42) MAPTPOLBGABRA2GABRB2DRD2
SCHEMBL1676665 0.85 NR1H2 (0.39) MAPTPOLBDRD2NPC1RAB9A
SCHEMBL1676662 0.85 NR1H2 (0.39) MAPTPOLBDRD2NPC1RAB9A
SCHEMBL1676661 0.84 DRD2 (0.43) MAPTPOLBGABRA2GABRB2DRD2
SCHEMBL1676659 0.84 DRD2 (0.43) MAPTPOLBGABRA2GABRB2DRD2
SCHEMBL1676323 0.81 GABRA2 (0.46) MAPTPOLBGABRA2GABRB2NPC1
SCHEMBL1676324 0.81 GABRA2 (0.46) MAPTPOLBGABRA2GABRB2NPC1
SCHEMBL1482273 0.80 DRD2 (0.49) MAPTPOLBGABRA2GABRB2DRD2
SCHEMBL1482277 0.80 DRD2 (0.49) MAPTPOLBGABRA2GABRB2DRD2
SCHEMBL1484270 0.77 MAPT (0.39) MAPTPOLBGABRA2GABRB2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE MAPT 3251/4885POLB 4497/4885GABRA2 3342/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MAPT 3251/4885POLB 4497/4885GABRA2 3342/4885

“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.