SCHEMBL3452190

SCHEMBL3452190

NC(c1nccc(Cl)n1)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EGFR P00533 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
AHR P35869 1/20 0.32
GRM4 Q14833 1/20 0.31
CNR1 P21554 1/20 0.31
ALOX12 P18054 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL3452399 0.76 MAPT (0.39) MAPTHSD17B10ALDH1A1KDM4EEGFR
SCHEMBL3451694 0.76 MAPT (0.35) MAPTHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL3296607 0.71 ALOX5 (0.42) MAPTHSD17B10ALDH1A1PKMHPGD
Iodide SCHEMBL28780518 0.69 ALOX5 (0.41) MAPTHSD17B10ALDH1A1PKMHPGD
SCHEMBL6509143 0.67 AHR (0.55) MAPTHSD17B10ALDH1A1KDM4EPKM
SCHEMBL5849398 0.66 NPC1 (0.49) MAPTALDH1A1KDM4EHPGDATM
SCHEMBL3302760 0.66 ADRB2 (0.42) MAPTHTTTSHRCNR1NPC1
SCHEMBL6215293 0.66 MAPT (0.33) MAPTHSD17B10EGFRTOP2ATOP2B
SCHEMBL4259753 0.65 HRH3 (0.33)
SCHEMBL20574876 0.64 SMARCA2 (0.33)

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 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 (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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R MAPT 3732/4885HSD17B10 330/4885ALDH1A1 1513/4885

“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.