SCHEMBL1507308

SCHEMBL1507308

NC(CO)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CES1 P23141 5/20 0.47
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL1507309 1.00 HIF1A (0.52) HIF1ASMN1; SMN2CES1MAPTTDP1
SCHEMBL10616915 0.84 HIF1A (0.52) HIF1ASMN1; SMN2CES1MAPTTDP1
SCHEMBL2850327 0.82 SMN1; SMN2 (0.50) HIF1ASMN1; SMN2CES1MAPTTDP1
SCHEMBL27846723 0.82 HIF1A (0.50) HIF1ASMN1; SMN2CES1MAPTTDP1
SCHEMBL2161616 0.82 HIF1A (0.50) HIF1ASMN1; SMN2CES1MAPTTDP1
SCHEMBL27863809 0.82 HIF1A (0.50) HIF1ASMN1; SMN2CES1MAPTTDP1
SCHEMBL4878730 0.82 SMN1; SMN2 (0.50) HIF1ASMN1; SMN2CES1MAPTTDP1
SCHEMBL27846724 0.82 HIF1A (0.50) HIF1ASMN1; SMN2CES1MAPTTDP1
SCHEMBL28968660 0.81 ALDH1A1 (0.51) SMN1; SMN2TDP1CYP3A4MEN1KMT2A
SCHEMBL30118296 0.81 ALDH1A1 (0.51) SMN1; SMN2TDP1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257515-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2017-05-17 EP disclosed
CN-104193609-B 1, 4-naphthoquinone derivatives and therapeutic uses thereof 国家科研中心 2017-04-12 CN disclosed
US-9090549-B2 1,4-naphthoquinones derivatives and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-28 US disclosed
CN-104193609-A 1, 4-naphthoquinone derivatives and therapeutic uses thereof CENTRE NAT RECH SCIENT 2014-12-10 CN disclosed
CN-102015607-A 1, 4-naphthoquinone derivatives and therapeutic uses thereof CENTRE NAT RECH SCIENT 2011-04-13 CN disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 US disclosed
EP-2257515-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF Centre National de la Recherche Scientifique (FR) 2010-12-08 EP disclosed
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 US disclosed
WO-2009118327-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-01 WO disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 US 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 (3 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H HIF1A 2406/4885SMN1; SMN2 4507/4885CES1 960/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B HIF1A 3415/4885SMN1; SMN2 3831/4885CES1 628/4885
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF NQO1, NDUFV2, RECQL HIF1A 1232/4885SMN1; SMN2 3070/4885CES1 876/4885

“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.