SCHEMBL437446

SCHEMBL437446

O=c1[nH]cnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.44
HSP90B1 P14625 1/20 0.44
TRAP1 Q12931 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DBH P09172 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
APAF1 O14727 2/20 0.40
DAO P14920 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
BCHE P06276 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4699095 0.78 MAPT (0.51) TSHRHSD17B10SMN1; SMN2DAOALDH1A1
SCHEMBL18462111 0.75 NPBWR1 (0.52) KMT2AALDH1A1MAPTALOX15
SCHEMBL11726797 0.73 TDP1 (0.55) TDP1KMT2ATSHRHSD17B10MAPK1
SCHEMBL28015673 0.70 DBH (0.68) TDP1KMT2AHSP90B1TRAP1TSHR
SCHEMBL1491139 0.69 KDM4E (0.64) TDP1KMT2AHSP90B1TRAP1TSHR
SCHEMBL24258041 0.66 KCNH2 (0.56) TDP1KCNH2ALDH1A1MKNK1MKNK2
SCHEMBL30698063 0.66 MGLL (0.69) TDP1KMT2AHSP90B1TRAP1TSHR
SCHEMBL28503560 0.66 MGLL (0.69) TDP1KMT2AHSP90B1TRAP1TSHR
SCHEMBL11613138 0.66 KMT2A (0.47) TDP1KMT2AHSP90B1TRAP1TSHR
SCHEMBL13692215 0.66 SLC6A2 (0.45) TDP1KMT2ATSHRHSD17B10DBH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN TDP1 1555/4885KMT2A 1899/4885HSP90B1 4193/4885

“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.