SCHEMBL430885

SCHEMBL430885

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 3/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
HCAR3 P49019 1/20 0.44
VCAM1 P19320 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 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
SCHEMBL6870232 0.85 HCAR3 (0.49) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL932509 0.85 MAPT (0.49) MAPTALDH1A1POLBHTTKMT2A
Hydrochloric Acid SCHEMBL28471036 0.81 ALDH1A1 (0.39) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL6167927 0.81 MAPT (0.50) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL865610 0.81 MAPT (0.45) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL23418074 0.80 HCAR3 (0.47) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL433329 0.79 HCAR3 (0.44) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL10612556 0.79 MAPT (0.44) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL10893806 0.79 ALDH1A1 (0.49) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL29399114 0.79 HCAR3 (0.44) MAPTALDH1A1POLBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-28 US disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO 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-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP11B2, HSD11B2 MAPT 2917/4885ALDH1A1 300/4885POLB 2046/4885

“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.