SCHEMBL904813

SCHEMBL904813

CC1c2ccccc2Sc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
HTR2C P28335 3/20 0.39
SLC6A2 P23975 2/20 0.39
CYP2D6 P10635 2/20 0.39
NOX1 Q9Y5S8 2/20 0.39
BCHE P06276 2/20 0.39
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL12401961 0.82 ALOX5 (0.42) HTR2CCYP2D6BCHEHTR2AHRH1
SCHEMBL21311912 0.81 TYMS (0.46) CYP2D6MEN1CYP1A2CYP3A4MAPT
SCHEMBL11588872 0.80 ALDH1A1 (0.41) SLC6A2CYP2D6MEN1CYP1A2POLB
SCHEMBL5133396 0.79 MAOA (0.41) MAOAHTR2CSLC6A2CYP2D6NOX1
SCHEMBL17991574 0.78 HTR5A (0.33) HTR2CSLC6A2CYP2D6HTR2AHRH1
SCHEMBL16627067 0.77 NOS3 (0.30)
SCHEMBL31070318 0.76 GPR3 (0.39) HTR2CHTR2AMEN1CYP3A4GAA
SCHEMBL11574827 0.76 GPR3 (0.39) HTR2CHTR2AMEN1CYP3A4GAA
SCHEMBL18887229 0.76
SCHEMBL3068122 0.75 MAOA (0.38) MAOAHTR2CSLC6A2CYP2D6NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856819-B1 ULTRAFAST CYCLIC ETHER-AMINE PHOTOPOLYADDITION AND USES THEREOF UNIV HAUTE ALSACE (FR) 2024-07-03 EP disclosed
US-20230357311-A1 METHOD FOR PRODUCING PEPTIDE, PROTECTIVE GROUP-FORMING REAGENT, AND CONDENSED POLYCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2023-11-09 US disclosed
CN-114349920-B Nonpolar olefin block copolymer with adjustable crystalline block content and preparation method thereof 大连理工大学(CN) 2023-01-13 CN disclosed
EP-3882997-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND SPIRO COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT Samsung Display Co., Ltd. (KR) 2021-09-22 EP disclosed
EP-3550362-A1 COMPOUND, COMPOSITION FOR FORMING ORGANIC FILM, SUBSTRATE FOR MANUFACTURING SEMICONDUCTOR APPARATUS, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2019-10-09 EP disclosed
US-20190171099-A1 POLYMERIZABLE COMPOSITION COMPRISING AN OXIME SULFONATE AS THERMAL CURING AGENT BASF SE (DE) 2019-06-06 US disclosed
US-10241399-B2 Polymerizable composition comprising an oxime sulfonate as thermal curing agent BASF SE (DE) 2019-03-26 US disclosed
EP-2566334-B1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2018-04-18 EP disclosed
EP-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed
US-9310677-B2 Polymerizable composition comprising an oxime sulfonate as thermal curing agent BASF (DE) 2016-04-12 US disclosed
US-20130029254-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND RESIST FILM, RESIST-COATED MASK BLANK, RESIST PATTERN FORMING METHOD AND PHOTOMASK EACH USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-31 US disclosed
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-5637380-A FORMED BY IRRADIATING AND HEATING FILM COMPOSITION COMPRISING PHOTOPOLYMERIZABLE ACRYLATE, NONACRYLIC EPOXIDE, CURING AGENT, COUPLING AGENT AG TECHNOLOGY CO., LTD. (JP) 1997-06-10 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 (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-20230357311-A1 METHOD FOR PRODUCING PEPTIDE, PROTECTIVE GROUP-FORMING REAGENT, AND CONDENSED POLYCYCLIC COMPOUND C9, VIP, NGLY1 MAOA 3625/4885HTR2C 3163/4885SLC6A2 4885/4885
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 MAOA 1077/4885HTR2C 4661/4885SLC6A2 4173/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 MAOA 4525/4885HTR2C 4097/4885SLC6A2 4278/4885
US-10241399-B2 Polymerizable composition comprising an oxime sulfonate as thermal curing agent SULT1E1, COX6B1, SULT1A1 MAOA 884/4885HTR2C 532/4885SLC6A2 4041/4885
US-20190171099-A1 POLYMERIZABLE COMPOSITION COMPRISING AN OXIME SULFONATE AS THERMAL CURING AGENT SULT1E1, COX6B1, SULT1A1 MAOA 884/4885HTR2C 532/4885SLC6A2 4041/4885

“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.