SCHEMBL12952913

SCHEMBL12952913

CCCCCOc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
PRSS1 P07477 4/20 0.51
ALDH1A1 P00352 3/20 0.51
PLA2G4B P0C869 1/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALPG P10696 1/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL6029803 0.95 MAPT (0.55) MAPTLMNANPSR1THRATHRB
SCHEMBL3039038 0.84 LMNA (0.51) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL8973693 0.84 CYP19A1 (0.57) MAPTLMNANPSR1THRATHRB
SCHEMBL19174928 0.84 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2PRSS1ALDH1A1
SCHEMBL30935123 0.84 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2PRSS1ALDH1A1
SCHEMBL8973648 0.82 CYP19A1 (0.60) MAPTLMNANPSR1THRATHRB
SCHEMBL11572440 0.82 CYP19A1 (0.60) MAPTLMNANPSR1THRATHRB
SCHEMBL9581225 0.82 PLA2G4B (0.63) MAPTLMNANPSR1THRATHRB
SCHEMBL8973848 0.82 CYP19A1 (0.60) MAPTLMNANPSR1THRATHRB
SCHEMBL11582911 0.82 PLA2G4B (0.63) MAPTLMNANPSR1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 MAPT 4277/4885LMNA 590/4885NPSR1 3055/4885

“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.