SCHEMBL3290802

SCHEMBL3290802

O=C1c2ccccc2CN1c1cc[c]cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.74
RAB9A P51151 5/20 0.74
PKM P14618 4/20 0.66
CYP11B2 P19099 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
DRD1 P21728 1/20 0.54
HTT P42858 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL4188221 0.85 NPC1 (1.00) NPC1RAB9APKMCYP11B2SMN1; SMN2
SCHEMBL29874794 0.85 NPC1 (1.00) NPC1RAB9APKMCYP11B2SMN1; SMN2
Hydrochloric Acid SCHEMBL31529590 0.84 NPC1 (0.96) NPC1RAB9APKMCYP11B2SMN1; SMN2
SCHEMBL4157597 0.82 NPC1 (0.68) NPC1RAB9APKMCYP11B2SMN1; SMN2
SCHEMBL30910321 0.79 NPC1 (0.74) NPC1RAB9APKMCYP11B2SMN1; SMN2
SCHEMBL11255826 0.79 NPC1 (0.74) NPC1RAB9APKMCYP11B2SMN1; SMN2
SCHEMBL17131794 0.79 NPC1 (0.74) NPC1RAB9APKMCYP11B2SMN1; SMN2
SCHEMBL4150687 0.79 NPC1 (0.74) NPC1RAB9APKMCYP11B2SMN1; SMN2
SCHEMBL14542411 0.79 NPC1 (0.74) NPC1RAB9APKMCYP11B2SMN1; SMN2
SCHEMBL28356711 0.79 NPC1 (0.74) NPC1RAB9APKMCYP11B2SMN1; 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE PHA.R.MA S.P.A. (IT) 2006-11-02 US claimed
US-6683205-B2 FROM ARYLCARBOXYALDEHYDES OR 2-ARYL-3-HYDROXYPROPENOIC ACIDS WISYS TECHNOLOGY FOUNDATION, INC. 2004-01-27 US claimed
US-20020120153-A1 Synthesis of 2-aryl propenoic acid esters for the production of non-steroidal anti-inflammatory drugs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-08-29 US claimed
EP-0151702-B1 ALPHA-HYDROXYKETONE ACETALS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1987-11-25 EP claimed
EP-0151702-A2 Alpha-hydroxyketone acetals SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-08-21 EP claimed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP claimed
JP-52156856-A None JP disclosed
JP-53090257-A None JP disclosed
US-10610515-B2 Composition including indoprofen and use thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-07 US disclosed
US-20170095451-A1 COMPOSITION INCLUDING INDOPROFEN AND USE THEREOF SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-04-06 US disclosed
US-9315442-B2 Method for manufacturing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2016-04-19 US disclosed
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Educational Foundation Administration Organization (JP) 2014-05-15 US disclosed
US-5273895-A Oxidizing the aldehyde or hydroxy precursor by an enzyme or Pseudomonas, Aeromonas, Escherichia and Alicaligenes SEPRACOR, INC. (US) 1993-12-28 US disclosed
US-4778799-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY AGENT TIBES ULRICH (DE) 1988-10-18 US disclosed
EP-0151702-B1 ALPHA-HYDROXYKETONE ACETALS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1987-11-25 EP disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed
JP-S5390257-A 1-(4-(1-OXO-2-ISOINDOLINYL)PHENYL) ETHANOL DERIVS. AND PROCESS FOR THEIR PREPARATION GRELAN PHARMACEUT CO LTD 1978-08-08 JP disclosed
JP-S52156856-A 2-CYANO-3-METHYL-3-#4-(1-OXO-2-ISOINDOLINYL)PHENYL#ACRYLIC ACIDS AND THEIR PREPARATION GRELAN PHARMACEUT CO LTD 1977-12-27 JP 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-20170095451-A1 COMPOSITION INCLUDING INDOPROFEN AND USE THEREOF NCOA3, NCOA1, PPARG NPC1 1279/4885RAB9A 4556/4885PKM 671/4885
US-10610515-B2 Composition including indoprofen and use thereof NCOA3, NCOA1, PPARG NPC1 1279/4885RAB9A 4556/4885PKM 671/4885
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases NR1H4, MMP8, NR1I2 NPC1 590/4885RAB9A 904/4885PKM 1408/4885
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ALDH1A2, ADH1C, ADH1A NPC1 4636/4885RAB9A 851/4885PKM 679/4885
US-20020120153-A1 Synthesis of 2-aryl propenoic acid esters for the production of non-steroidal anti-inflammatory drugs ALOX15, ALOX15B, ALOX5 NPC1 1629/4885RAB9A 2813/4885PKM 3262/4885

“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.