SCHEMBL3484352

SCHEMBL3484352

Nc1ccc(Oc2cccc3ncccc23)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
NR4A2 P43354 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR3C1 P04150 2/20 0.40
GAA P10253 1/20 0.39
RHEB Q15382 1/20 0.38

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
SCHEMBL9447016 0.79 MEN1 (0.63) MEN1KMT2APOLBMAPTHSP90AA1
SCHEMBL4797458 0.78 ADORA2A (0.43) MEN1KMT2AMAPTHSP90AA1HSP90AB1
SCHEMBL3484735 0.78 KMT2A (0.69) SCN9AMEN1KMT2APOLBMAPT
SCHEMBL3484572 0.78 ESRRA (0.56) SCN9AALDH1A1TSHRHSD17B10GAA
SCHEMBL1660675 0.77 RHEB (0.37) MEN1KMT2ATSHRRHEBESRRA
Hydrochloric Acid SCHEMBL10884537 0.77 ESRRA (0.54) SCN9AALDH1A1TSHRHSD17B10GAA
SCHEMBL631806 0.76 ALDH1A1 (0.52) MEN1KMT2AMAPTHSP90AA1HSP90AB1
SCHEMBL27645153 0.75 RHEB (0.47) MAPTHSP90AA1RHEBLMNA
SCHEMBL10961278 0.75 IDO1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3484235 0.75 KDM4E (0.43) SCN9ANR4A2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 SCN9A 3444/4885NR4A2 506/4885MEN1 2063/4885

“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.