SCHEMBL3452399

SCHEMBL3452399

NC(c1ccnc(Cl)n1)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
AHR P35869 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
EGFR P00533 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
GRM4 Q14833 1/20 0.32
ALOX12 P18054 2/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL3452190 0.76 MAPT (0.38) MAPTHSD17B10AHRKDM4EALDH1A1
SCHEMBL3453201 0.75 KMT2A (0.42) MAPTHSD17B10AHRKDM4EALDH1A1
SCHEMBL6509143 0.75 AHR (0.55) MAPTHSD17B10AHRKDM4EALDH1A1
SCHEMBL6215293 0.73 MAPT (0.33) MAPTHSD17B10EGFRTOP2ATOP2B
SCHEMBL3296607 0.72 ALOX5 (0.42) MAPTHSD17B10ALDH1A1PKMHPGD
Iodide SCHEMBL28780518 0.70 ALOX5 (0.41) MAPTHSD17B10AHRALDH1A1PKM
SCHEMBL16655518 0.70 POLB (0.35) MAPK9MAPK10IDO1TDO2
SCHEMBL28404695 0.70 MAPK9 (0.37) MAPK9MAPK10ALDH1A1HTT
SCHEMBL14488519 0.69 TRPV1 (0.33) MAPTMAPK9MAPK10L3MBTL1GRM4
SCHEMBL3302760 0.67 ADRB2 (0.42) MAPTHTTTSHRCNR1KMT2A

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 330/4885MAPK9 3815/4885

“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.