SCHEMBL3039804

SCHEMBL3039804

O=C1Nc2ccc([N+](=O)[O-])cc2OC1(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CAPN9 O14815 1/20 0.45
CASP3 P42574 1/20 0.45
GAA P10253 1/20 0.43
CYP3A4 P08684 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
PGR P06401 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AKR1B1 P15121 1/20 0.39
SNCA P37840 2/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL3715441 0.88 ALPL (0.48) ALPLALDH1A1MEN1KMT2AMAPT
SCHEMBL755117 0.83 BRD4 (0.49) ALPLALDH1A1MEN1KMT2AMAPT
SCHEMBL17996438 0.81 ALPL (0.47) ALPLALDH1A1MEN1KMT2AMAPT
SCHEMBL17434495 0.78 ALPL (0.48) ALPLALDH1A1MEN1KMT2AMAPT
SCHEMBL8632319 0.77 NPC1 (0.46) ALPLALDH1A1MEN1KMT2AMAPT
SCHEMBL5185834 0.76 CYP3A4 (0.53) ALPLALDH1A1MEN1KMT2ACAPN9
SCHEMBL31036106 0.76 CYP3A4 (0.53) ALPLALDH1A1MEN1KMT2ACAPN9
SCHEMBL900430 0.76 KMT2A (0.45) KMT2AMAPTPGRCYP2C19AKR1B1
SCHEMBL10346886 0.75 MEN1 (0.59) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL29636440 0.75 MEN1 (0.59) ALDH1A1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 US disclosed
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 US disclosed
US-7141588-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER, INC. (US) 2006-11-28 US disclosed
EP-1478629-B1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN CO LLC (US) 2006-10-11 EP disclosed
US-6919329-B2 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-07-19 US disclosed
EP-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 US disclosed
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-03-04 US disclosed
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 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 (6 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP ALPL 1997/4885ALDH1A1 336/4885MEN1 2840/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP ALPL 1997/4885ALDH1A1 336/4885MEN1 2840/4885
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 ALPL 3166/4885ALDH1A1 956/4885MEN1 3522/4885
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 ALPL 3166/4885ALDH1A1 956/4885MEN1 3522/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP ALPL 1997/4885ALDH1A1 336/4885MEN1 2840/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 ALPL 3166/4885ALDH1A1 956/4885MEN1 3522/4885

“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.