SCHEMBL9944732

SCHEMBL9944732

CCN(C)c1cc(NC)c([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.51
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 4/20 0.43
FADS1 O60427 1/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
P2RX1 P51575 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL9898699 0.90 EGFR (0.47) EGFRKMT2ASMN1; SMN2TSHRMAPT
SCHEMBL9945002 0.85 FADS1 (0.49) EGFRKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9899351 0.85 FADS1 (0.49) EGFRKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9944731 0.84 FADS1 (0.53) EGFRKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9944974 0.84 MAPT (0.47) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9944834 0.83 EGFR (0.49) EGFRKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10169864 0.79 EGFR (0.50) EGFRKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9944856 0.77 PTGES (0.39) EGFRKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9898506 0.77 MAPT (0.49) EGFRKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9944848 0.76 MEN1 (0.42) EGFRKMT2ANPC1RAB9ATSHR

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES EGFR 4542/4885KMT2A 3376/4885SMN1; SMN2 4246/4885

“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.