SCHEMBL6593403

SCHEMBL6593403

O=C(Cl)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
POLB P06746 1/20 0.56
MCL1 Q07820 1/20 0.56
ALDH1A1 P00352 9/20 0.51
SRC P12931 1/20 0.50
HTT P42858 1/20 0.49
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
MET P08581 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1446429 0.85 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3327817 0.83 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL15918696 0.83 MAPT (0.60) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL9061393 0.83 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL5548502 0.83 MEN1 (0.55) MAPTMEN1KMT2AL3MBTL1POLB
Methane SCHEMBL9392730 0.82 MAPT (0.48) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL8575620 0.80 GPR35 (0.44) MAPTALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL718255 0.80 MAPT (0.74) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL5666638 0.80 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL28835926 0.80 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214576-A1 Topoisomerase Inhibitors and Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2008-09-04 US disclosed
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed
EP-1040108-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-04 EP disclosed
WO-1999032477-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO disclosed
US-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed
EP-0086340-B1 3-(1H-TETRAZOL-5-YL)-4(3H)-QUINAZOLINONES THE DOW CHEMICAL COMPANY (US) 1986-04-02 EP disclosed
US-4419357-A 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinones THE DOW CHEMICAL COMPANY (US) 1983-12-06 US disclosed
EP-0086340-A1 3-(1H-tetrazol-5-yl)-4(3H)-quinazolinones THE DOW CHEMICAL COMPANY (US) 1983-08-24 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-20080214576-A1 Topoisomerase Inhibitors and Prodrugs TOP2A, TOP1, TOP2B MAPT 2510/4885MEN1 2997/4885KMT2A 2081/4885

“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.