SCHEMBL9945002

SCHEMBL9945002

CNc1cc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.49
HTT P42858 3/20 0.49
EGFR P00533 2/20 0.49
P2RX1 P51575 1/20 0.48
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL9899351 0.93 FADS1 (0.49) FADS1HTTEGFRP2RX1MAPT
SCHEMBL9944834 0.87 EGFR (0.49) FADS1HTTEGFRP2RX1MAPT
SCHEMBL9944732 0.85 EGFR (0.51) FADS1HTTEGFRP2RX1MAPT
SCHEMBL9944971 0.85 NPC1 (0.52) HTTMAPTRAB9ANPC1ALDH1A1
SCHEMBL10169864 0.84 EGFR (0.50) FADS1HTTEGFRMAPTRAB9A
SCHEMBL9898699 0.83 EGFR (0.47) FADS1HTTEGFRP2RX1MAPT
SCHEMBL9944830 0.83 PTGES (0.47) FADS1HTTEGFRP2RX1MAPT
SCHEMBL9898506 0.83 MAPT (0.49) HTTEGFRMAPTRAB9ANPC1
SCHEMBL9944857 0.81 PTGES (0.48) FADS1HTTEGFRP2RX1MAPT
SCHEMBL9944848 0.79 MEN1 (0.42) HTTEGFRMAPTRAB9ANPC1

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 FADS1 494/4885HTT 4506/4885EGFR 4542/4885

“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.