SCHEMBL5386667

SCHEMBL5386667

NC(=O)c1cc([N+](=O)[O-])ccc1C=Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ CYP19A1 P11511 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ CYP1B1 Q16678 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SNCA P37840 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ MAOB P27338 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ CTSV O60911 1/20 0.44

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
SCHEMBL5386664 1.00 NFE2L2 (0.55) NFE2L2KMT2ACYP19A1PKMCYP1B1
SCHEMBL27544618 0.82 NFE2L2 (0.61) NFE2L2KMT2ACYP19A1ALDH1A1MEN1
SCHEMBL7782212 0.80 NFE2L2 (0.58) NFE2L2KMT2ACYP19A1CYP1B1ALDH1A1
SCHEMBL7782216 0.80 NFE2L2 (0.58) NFE2L2KMT2ACYP19A1CYP1B1ALDH1A1
SCHEMBL5387299 0.78 CYP19A1 (0.49) KMT2ACYP19A1PKMCYP1B1ALDH1A1
SCHEMBL5387303 0.78 CYP19A1 (0.49) KMT2ACYP19A1PKMCYP1B1ALDH1A1
SCHEMBL3247258 0.78 NFE2L2 (0.63) NFE2L2KMT2ACYP19A1CYP1B1ALDH1A1
SCHEMBL3247265 0.78 NFE2L2 (0.63) NFE2L2KMT2ACYP19A1CYP1B1ALDH1A1
SCHEMBL22624830 0.77 ERN1 (0.61) NFE2L2KMT2ACYP19A1CYP1B1ALDH1A1
SCHEMBL28069165 0.77 NFE2L2 (0.61) NFE2L2KMT2ACYP19A1CYP1B1ALDH1A1

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
CN-100358888-C Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2008-01-02 — — CN disclosed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 — — US disclosed
US-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders LAM PATRICK Y 2006-02-23 — — US disclosed
US-6965036-B2 Intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-15 — — US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 — — US disclosed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 — — EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 — — US disclosed
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-01 — — US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 — — US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 — — US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 — — US disclosed
CN-1259942-A Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-07-12 — — CN disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 — — EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 — — 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 (4 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-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders SERPINC1, F7, SERPINE1 NFE2L2 3993/4885KMT2A 1643/4885CYP19A1 3294/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 NFE2L2 2999/4885KMT2A 1985/4885CYP19A1 2182/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 NFE2L2 2974/4885KMT2A 2780/4885CYP19A1 1077/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI NFE2L2 3242/4885KMT2A 2637/4885CYP19A1 1337/4885

“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.

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