SCHEMBL5580396

SCHEMBL5580396

O=C(Cl)C(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 1/20 0.58
EPHX1 P07099 1/20 0.58
TSHR P16473 1/20 0.58
EPHX2 P34913 1/20 0.58
CDK9 P50750 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
NAPRT Q6XQN6 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PTPN1 P18031 1/20 0.52
PTPN11 Q06124 1/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
PKM P14618 2/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL2820119 0.87 PTPN1 (0.71) SMN1; SMN2PTPN1PTPN11RAB9ANPC1
SCHEMBL6964944 0.86 SMN1; SMN2 (0.58) SMN1; SMN2TP53EPHX1TSHREPHX2
Benzene SCHEMBL28977956 0.85 SMN1; SMN2 (0.70) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL57554 0.85 SMN1; SMN2 (0.70) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL9856061 0.82 SMN1; SMN2 (0.54) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL9363961 0.80 SMN1; SMN2 (0.52) SMN1; SMN2TP53EPHX1TSHREPHX2
Hydrazine SCHEMBL28432690 0.80 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL616739 0.80 PTPN11 (0.75) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL992038 0.80 EPHX2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL2680094 0.79 SMN1; SMN2 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2

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
WO-2019238095-A1 OXADIAZOLE OXIME DERIVATIVE AND USE THEREOF IN AGRICULTURE 东莞市东阳光农药研发有限公司 2019-12-19 WO disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
US-20080242700-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2008-10-02 US disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting ZERIA PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1650189-A1 BENZYLAMINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2006-04-26 EP disclosed
EP-1242069-B1 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL INC (US) 2005-06-29 EP disclosed
US-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
US-6355680-B1 BLOCKING REACTION OF GLUCOSE AND ALBUMIN EXOCELL, INC. 2002-03-12 US disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 US disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed
WO-1988007534-A1 BETA-LACTAM EPOXIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-10-06 WO disclosed
US-4656183-A Pesticidal oxalyl dianilides CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed
US-4556739-A QUINAZOLINONE INTERMEDIATES ORTHO PHARMACEUTICAL CORPORATION (US) 1985-12-03 US disclosed
US-4555570-A Substituted 4-alkyl-2-(1H) quinazolinone-1-alkanoic acid derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1985-11-26 US disclosed
EP-0138492-A2 Process for preparing substituted 4-alkyl-2(1H) quinazolinone-1-alkanoic acid derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1985-04-24 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 (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-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR SMN1; SMN2 2474/4885TP53 252/4885EPHX1 2556/4885
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE SMN1; SMN2 4234/4885TP53 3804/4885EPHX1 345/4885
US-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting KCNAB1, BDKRB2, ARRB1 SMN1; SMN2 3119/4885TP53 4348/4885EPHX1 2119/4885
US-20080242700-A1 Methods and Compositions for Selectin Inhibition SELE, SELP, SELL SMN1; SMN2 1477/4885TP53 3572/4885EPHX1 375/4885

“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.