SCHEMBL2780433

SCHEMBL2780433

CC(=O)N[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GRM8 O00222 1/20 0.46

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
SCHEMBL6190824 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6193353 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6194780 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6193349 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6190821 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL7173228 0.96 ITGB1 (0.48) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6751575 0.85 TACR1 (0.51) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL6370800 0.85 TACR1 (0.51) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL27462559 0.85 TACR1 (0.51) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL25453255 0.84 CYP2D6 (0.52) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628965-B1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS WILEX AG (DE) 2015-07-22 EP disclosed
EP-2248901-A1 Streptogramines and method for preparing same by mutasynthesis Aventis Pharma S.A. (FR) 2010-11-10 EP disclosed
EP-2243774-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors Wilex AG (DE) 2010-10-27 EP disclosed
US-7807681-B2 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2010-10-05 US disclosed
EP-0770132-B1 NEW STREPTOGRAMINES AVENTIS PHARMA SA (FR) 2010-09-08 EP disclosed
US-20100068272-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS WILEX AG (DE) 2010-03-18 US disclosed
US-7608623-B2 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2009-10-27 US disclosed
EP-1511721-B1 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2009-07-01 EP disclosed
US-7538216-B2 Guanidino phenylalanin compounds used as urokinase inhibitors WILEX AG (DE) 2009-05-26 US disclosed
US-20080261998-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2008-10-23 US disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 US disclosed
CN-1330076-A Endothelin antagon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
CN-1330077-A Endothelin antegon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO disclosed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP disclosed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 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 (5 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-20100068272-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS PLAU, PLAUR, HPN CYP2D6 1619/4885CYP2C9 1257/4885CYP2C19 1728/4885
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 CYP2D6 68/4885CYP2C9 98/4885CYP2C19 170/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 CYP2D6 47/4885CYP2C9 55/4885CYP2C19 102/4885
US-20080261998-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors PLAU, PLAUR, HPN CYP2D6 1619/4885CYP2C9 1257/4885CYP2C19 1728/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 CYP2D6 79/4885CYP2C9 98/4885CYP2C19 172/4885

“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.