SCHEMBL6536062

SCHEMBL6536062

CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
HSPB1 P04792 2/20 0.46
ERN1 O75460 2/20 0.46
PDE7A Q13946 1/20 0.45
LMNA P02545 2/20 0.44
NPBWR1 P48145 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TBXA2R P21731 5/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6930116 0.87 HSPB1 (0.49) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL6923805 0.85 TBXA2R (0.49) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL7813829 0.83 ALDH1A1 (0.49) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL22966218 0.82 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL13216574 0.82 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL11577394 0.82 HSPB1 (0.68) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL6928480 0.82 MAPT (0.56) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL15055667 0.81 HSPB1 (0.63) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL13581060 0.81 CCR5 (0.49) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL13242050 0.80 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1MEN1KMT2A

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 10 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
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
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 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 (2 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ALDH1A1 2602/4885HPGD 780/4885NPSR1 3637/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 ALDH1A1 1168/4885HPGD 577/4885NPSR1 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.