SCHEMBL6597993

SCHEMBL6597993

Cc1cc2ccc([N+](=O)[O-])cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ACHE P22303 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP3A4 P08684 2/20 0.46
PSMB8 P28062 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42

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
SCHEMBL266607 0.86 CA12 (0.57) TSHRALDH1A1TDP1MAPTMEN1
Dimethylamine SCHEMBL2105293 0.81 CA12 (0.54) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL26605090 0.79 MAPT (0.47) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL12778678 0.79 MAPT (0.47) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL31217544 0.78 MEN1 (0.55) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL10717733 0.77 CA12 (0.52) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL6509784 0.77 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL3057669 0.76 KDM4E (0.63) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9678208 0.76 MEN1 (0.45) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL26605095 0.76 CYP2A6 (0.51) ALDH1A1MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 EP disclosed
US-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 EP disclosed
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 WO disclosed
US-5158964-A Benzoxazole sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1992-10-27 US disclosed
US-5130334-A INDANE SULFONAMIDE ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1992-07-14 US disclosed
CN-1015804-B METHOD FOR PREPARATION OF SULPHONIC ACID AMIDE COMPOUND FOR ANTIARRHYTHMIC AGENT PFIZER LTD (GB) 1992-03-11 CN disclosed
US-5055473-A QUINOLINYL SULFONAMIDE ANTI-ARRHYTHMIC AGENTS AND USE THEREAS PFIZER INC. (US) 1991-10-08 US disclosed
US-4956382-A TERTIARY AMINE HETEROCYCLIC SULFONAMIDES PFIZER INC. (US) 1990-09-11 US disclosed
EP-0286277-B1 ANTIARRYTHMIC AGENTS Pfizer Limited (GB) 1990-06-20 EP disclosed
EP-0281254-B1 ANTIARRYTHMIC AGENTS Pfizer Limited (GB) 1990-01-17 EP disclosed
CN-1038451-A Antiarrhythmics PFIZER LTD (GB) 1990-01-03 CN disclosed
US-4829071-A Quinolyl substituted indane sulfonamides and their use as anti-arrhythmic agents PFIZER INC. (US) 1989-05-09 US disclosed
EP-0286277-A1 Antiarrythmic agents Pfizer Limited (GB) 1988-10-12 EP disclosed
EP-0281254-A1 Antiarrythmic agents Pfizer Limited (GB) 1988-09-07 EP 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-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 TSHR 1530/4885ALDH1A1 2640/4885TDP1 2167/4885

“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.