SCHEMBL23219333

SCHEMBL23219333

C=C(OCC)c1cnc(Cl)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.49
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 4/20 0.33
TP53 P04637 3/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NNMT P40261 1/20 0.32
CYP2C9 P11712 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
SCHEMBL16193288 0.87 DGAT1 (0.41) DGAT1RAB9AKDM4EMAPTTP53
SCHEMBL21598906 0.80 GAA (0.37) DGAT1KDM4EMAPTTP53KMT2A
SCHEMBL13982866 0.80 DGAT1 (0.49) DGAT1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL24942430 0.79 DGAT1 (0.36) DGAT1RAB9AKDM4EMAPTTP53
SCHEMBL23526528 0.79 KDM4E (0.39) DGAT1KDM4EMAPTTP53KMT2A
SCHEMBL31524263 0.79 KDM4E (0.39) DGAT1KDM4EMAPTTP53KMT2A
SCHEMBL23649685 0.77 DPP4 (0.36) DGAT1KMT2AMEN1POLQ
SCHEMBL29803993 0.77 DPP4 (0.36) DGAT1KMT2AMEN1POLQ
SCHEMBL29036469 0.76 ALDH1A1 (0.34) DGAT1KDM4EMAPTKMT2AALDH1A1
SCHEMBL9899992 0.74 DGAT1 (0.47) DGAT1RAB9AKDM4EMAPTTP53

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-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 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-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT RORC, RORA, RORB DGAT1 1850/4885RAB9A 854/4885KDM4E 2096/4885

“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.