SCHEMBL3077797

SCHEMBL3077797

O=C(O)C=CNc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.68
RAB9A P51151 11/20 0.68
ALDH1A1 P00352 7/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MAPT P10636 7/20 0.50
PKM P14618 4/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
CASP1 P29466 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
SCHEMBL3077795 1.00 NPC1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL27912466 0.85 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL14482456 0.83 MGLL (0.56) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3079233 0.83 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3079231 0.83 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3070581 0.83 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3057246 0.81 MMP1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL19657986 0.81 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3057250 0.81 MMP1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL16218028 0.81 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416146-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-C] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF Lomond Therapeutics, Inc. (US) 2024-08-21 EP disclosed
CN-117343242-A Polyaniline-polyacrylic acid composite material and preparation method and application thereof 广东电网有限责任公司 2024-01-05 CN disclosed
WO-2023064133-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF LOMOND THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
CN-103897184-B A kind of preparation method of polyaniline-polyacrylic acid ester complexes YANGZHOU UNIVERSITY (CN) 2016-04-27 CN disclosed
CN-103897184-A Preparation method of polyaniline-polyacrylate compound UNIV YANGZHOU 2014-07-02 CN disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090258853-A1 Somatostatin Agonists MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-5468750-A Antiinflammatory agents and autoimmune diseases ELF SANOFI (FR) 1995-11-21 US disclosed
US-5360799-A Free radical inhibitors ELF SANOFI (FR) 1994-11-01 US disclosed
US-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 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 (2 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-20090258853-A1 Somatostatin Agonists SSTR2, SSTR3, SSTR1 NPC1 2408/4885RAB9A 2210/4885ALDH1A1 3713/4885
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 NPC1 4124/4885RAB9A 2706/4885ALDH1A1 361/4885

“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.