SCHEMBL12727140

SCHEMBL12727140

O=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCN(O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.58
NPC1 O15118 4/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 5/20 0.50
USP2 O75604 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 2/20 0.48
KLK7 P49862 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.47
GRM4 Q14833 1/20 0.46

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
SCHEMBL12918737 0.90 TRPV4 (0.55) TRPV4NPC1RAB9AALDH1A1USP2
SCHEMBL12727160 0.90 KMT2A (0.61) TRPV4NPC1ALDH1A1USP2MEN1
SCHEMBL12704791 0.90 TRPV4 (0.59) TRPV4NPC1RAB9AALDH1A1USP2
SCHEMBL12214757 0.89 TRPV4 (0.57) TRPV4NPC1RAB9AALDH1A1USP2
SCHEMBL13628995 0.89 TRPV4 (0.54) TRPV4NPC1RAB9AALDH1A1USP2
SCHEMBL13628994 0.89 TRPV4 (0.54) TRPV4NPC1RAB9AALDH1A1USP2
SCHEMBL12727143 0.84 KDM4E (0.51) TRPV4NPC1RAB9AALDH1A1USP2
SCHEMBL12727142 0.84 KDM4E (0.64) TRPV4NPC1RAB9AALDH1A1USP2
SCHEMBL12727145 0.84 LMNA (0.61) NPC1ALDH1A1USP2MEN1KMT2A
SCHEMBL12214925 0.82 CA2 (0.56) NPC1RAB9AMEN1KMT2AKDM4E

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-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 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-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TRPV4 3776/4885NPC1 2880/4885RAB9A 761/4885

“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.