SCHEMBL1128908

SCHEMBL1128908

O=C(O)CCc1nc2ccccc2[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.71
ALDH1A1 P00352 7/20 0.71
HSD17B10 Q99714 6/20 0.71
HPGD P15428 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
HTT P42858 2/20 0.68
LMNA P02545 1/20 0.67
CHRM1 P11229 1/20 0.66
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
POLB P06746 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.59
PARP1 P09874 1/20 0.55

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
SCHEMBL13803708 0.87 HPGD (0.74) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6648776 0.84 NPC1 (0.76) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3532448 0.84 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL12047247 0.83 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3533289 0.81 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL9482692 0.80 SMN1; SMN2 (0.66) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL29790286 0.80 NPC1 (0.69) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
Procodazole SCHEMBL838841 0.80 CHRM1 (1.00) KDM4EALDH1A1NPC1RAB9AHTT
SCHEMBL30868868 0.80 KDM4E (0.76) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
Procodazole SCHEMBL29404024 0.80 CHRM1 (1.00) KDM4EALDH1A1NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181724-A Quinoxalinone compounds useful for expanding the lumina or air passages in mammals THE UPJOHN COMPANY (US) 1980-01-01 US claimed
WO-2017194958-A1 ASSAY SCHOFIELD CHRISTOPHER J (GB) 2017-11-16 WO disclosed
EP-2737079-B1 ASSAY FOR HISTIDINYL HYDROXYLASE ACTIVITY UNIV OXFORD INNOVATION LTD (GB) 2017-04-12 EP disclosed
EP-2675912-B1 METHOD FOR ASSAYING OGFOD1 ACTIVITY OXFORD UNIVERSITY INNOVATION LTD (GB) 2016-11-16 EP disclosed
US-9422589-B2 Assay for histidinyl hydroxylase activity ISIS INNOVATION LIMITED (GB) 2016-08-23 US disclosed
US-9228224-B2 Method for assaying OGFOD1 activity ISIS INNOVATION LIMITED (GB) 2016-01-05 US disclosed
US-20140248636-A1 ASSAY FOR HISTIDINYL HYDROXYLASE ACTIVITY ISIS INNOVATION LIMITED (GB) 2014-09-04 US disclosed
EP-2737079-A1 ASSAY FOR HISTIDINYL HYDROXYLASE ACTIVITY ISIS Innovation Limited (GB) 2014-06-04 EP disclosed
US-20140051106-A1 METHOD FOR ASSAYING OGFOD1 ACTIVITY ISIS INNOVATION LIMITED (GB) 2014-02-20 US disclosed
US-20140045930-A1 ASSAY FOR ARGINYL HYDROXYLASE ACTIVITY ISIS INNOVATION LIMITED (GB) 2014-02-13 US disclosed
EP-0901468-B1 PREPARATION OF LACTAMS FROM ALIPHATIC ALPHA,OMEGA-DINITRILES DU PONT (US) 2004-07-14 EP disclosed
US-6077955-A CONTACTING AN AQUEOUS PRODUCT MIXTURE CONTAINING A W-NITRILOCARBOXYLIC ACID AMMONIUM SALT WITH HYDROGEN AND A HYDROGENATION CATALYST, WHEREBY THE SALT IS CONVERTED DIRECTLY TO THE CORRESPONDING LACTAM WITHOUT ISOLATION OF INTERMEDIATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-06-20 US disclosed
US-6066490-A MICROORGANISMS THAT PRODUCES A HYDROLASE ENZYME THAT DEMONSTRATES PREFERENTIAL ACTIVITY E. I. DU PONT DE NEMOURS & COMPANY (US) 2000-05-23 US disclosed
US-5936114-A Preparation of lactams from aliphatic α, ω-dinitriles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-08-10 US disclosed
US-5922589-A ISOLATED COMAMONAS TESTOSTERONI 5-MGAM-4D WITH NITRILE HYDRATASE AND AMIDASE ACTIVITIES; FOR HIGH YIELD WITH HIGH REGIOSELECTIVITY AND BY PRODUCT INHIBITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-07-13 US disclosed
US-5908954-A CHEMICAL INTERMEDIATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-01 US disclosed
EP-0901468-A1 PREPARATION OF LACTAMS FROM ALIPHATIC $g(a),$g(v)-DINITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-17 EP disclosed
US-5858736-A CONTACTING DINITRILE IN AQUEOUS MIXTURE WITH ENZYME CATALYST HAVING ALIPHATIC NITRILASE ACTIVITY OR COMBINATION OF NITRILE HYDRATASE AND AMIDASE ACTIVITY, CONTACTING PRODUCT WITH HYDROGEN AND HYDROGENATION CATALYST TO PRODUCE LACTAM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-12 US disclosed
US-5814508-A TREATING A WHOLE CELL CATALYST TO SELECT FOR A REGIOSELECTIVE NITRILASE ACTIVITY OR A NITRILE HYDRATASE ACTIVITY; CATALYTIC CONVERSION OF ALPHA-OMEGA DINITRILES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-29 US disclosed
WO-1997044318-A1 PREPARATION OF LACTAMS FROM ALIPHATIC α,φ-DINITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-27 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 (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-20140045930-A1 ASSAY FOR ARGINYL HYDROXYLASE ACTIVITY PADI6, PADI3, PADI1 KDM4E 559/4885ALDH1A1 770/4885HSD17B10 85/4885

“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.