SCHEMBL3588115

SCHEMBL3588115

N#CCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
PTPN1 P18031 1/20 0.58
GSK3B P49841 1/20 0.58
RAB9A P51151 4/20 0.56
FFAR1 O14842 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
HIF1A Q16665 1/20 0.56
HPGD P15428 1/20 0.55
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
HAO1 Q9UJM8 1/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
USP2 O75604 1/20 0.53
AGTR1 P30556 1/20 0.50
SRD5A2 P31213 1/20 0.49
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL22313390 0.88 CES1 (0.56) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL136826 0.88 CES1 (0.56) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL11332901 0.86 CES1 (0.54) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Fluoride SCHEMBL28163020 0.86 CES1 (0.54) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL6752860 0.86 CES1 (0.54) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL395103 0.85 GSK3B (0.48) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL26722630 0.84 ERCC5 (0.58) SMN1; SMN2GSK3BERCC5FEN1ALDH1A1
SCHEMBL14918493 0.82 TSHR (0.52) SMN1; SMN2GSK3BALDH1A1SRD5A2
SCHEMBL28568410 0.81 HDAC1 (0.49) SMN1; SMN2MAPTGSK3BLMNACYP1A2
SCHEMBL8287338 0.81 ESR2 (0.57) MAPTL3MBTL1RAB9AFFAR1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210772-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR, AND COMPOUND 富士フイルム株式会社 2023-11-02 WO disclosed
CN-110272400-B Synthesis method of 2-trifluoromethyl substituted furan compound and derivative thereof 福州大学 2022-08-23 CN disclosed
CN-112679381-A Method for synthesizing beta-ketonitrile and derivative thereof 温州医科大学 2021-04-20 CN disclosed
EP-2069351-B1 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBVIE INC (US) 2015-10-28 EP disclosed
US-8183250-B2 Potent PARP inhibitors ABBOTT LABORATORIES (US) 2012-05-22 US disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 EP disclosed
WO-2005044785-A1 ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-05-19 WO disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed
US-20040180948-A1 2-Amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-16 US disclosed
US-6713638-B2 TREATING ISCHEMIC DISEASE, CARDIAC ARRHYTHMIAS, CHRONIC PAIN, INDUCING SLEEP IN A MAMMAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-30 US disclosed
US-20030078248-A1 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 US disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 US disclosed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 EP disclosed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO disclosed
US-4420552-A Method of producing printed images with a color facsimile printing device Peck, Richard M. (US) 1983-12-13 US disclosed
US-4390614-A Color facsimile printing device comprising photosensitive ink in pores Peck, Richard M. (US) 1983-06-28 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 (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-20090298858-A1 POTENT PARP INHIBITORS PARP1, PARP2, PARP3 SMN1; SMN2 2135/4885MAPT 2627/4885L3MBTL1 2650/4885
US-20030078248-A1 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors ADORA1, ADORA2A, ADORA3 SMN1; SMN2 3809/4885MAPT 4206/4885L3MBTL1 1943/4885
US-20040180948-A1 2-Amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors ADORA1, ADORA2A, ADORA3 SMN1; SMN2 3809/4885MAPT 4206/4885L3MBTL1 1943/4885
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA SMN1; SMN2 3550/4885MAPT 4061/4885L3MBTL1 1021/4885

“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.