SCHEMBL9944896

SCHEMBL9944896

CNc1cc(N(C)Cc2nccn2C)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
CNR2 P34972 12/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 5/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9944941 0.88 ALDH1A1 (0.35) CNR2ALDH1A1CNR1NPC1RAB9A
SCHEMBL9944897 0.86 PTGES (0.43) PTGESCNR2CNR1NPC1RAB9A
SCHEMBL9944936 0.84 PTGES (0.41) PTGESCNR2ALDH1A1LMNAGAA
SCHEMBL14211288 0.84 CNR2 (0.38) PTGESCNR2ALDH1A1CNR1
SCHEMBL9944783 0.81 ALDH1A1 (0.40) PTGESCNR2ALDH1A1CNR1NPC1
SCHEMBL9944785 0.81 ALDH1A1 (0.40) PTGESCNR2ALDH1A1CNR1NPC1
SCHEMBL9944780 0.81 CNR2 (0.46) PTGESCNR2ALDH1A1MAPTCNR1
SCHEMBL9944938 0.81 ALDH1A1 (0.36) CNR2ALDH1A1LMNANPC1RAB9A
SCHEMBL9944927 0.81 ALDH1A1 (0.40) PTGESCNR2ALDH1A1KMT2ACNR1
SCHEMBL9944933 0.81 ALDH1A1 (0.40) PTGESCNR2ALDH1A1CNR1NPC1

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 PTGES 3/4885CNR2 142/4885ALDH1A1 126/4885

“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.