SCHEMBL229404

SCHEMBL229404

c1ccc(CSc2ncc[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GRIN2B Q13224 2/20 0.50
TP53 P04637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
GRIN2A Q12879 1/20 0.48
PLA2G7 Q13093 1/20 0.47
DAO P14920 2/20 0.46
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44

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
Hydrochloric Acid SCHEMBL5155818 0.98 HDAC1 (0.52) HDAC1HSD17B10NPC1RAB9AGRIN2B
SCHEMBL14355126 0.82 GAA (0.57) HDAC1NPC1RAB9ATP53PLA2G7
SCHEMBL4190883 0.82 TAAR1 (0.47) HDAC1HSD17B10NPC1RAB9AGRIN2B
SCHEMBL31325531 0.82 HTT (0.51) HDAC1NPC1RAB9ATP53PLA2G7
SCHEMBL10436025 0.79 KDM4E (0.59) HDAC1NPC1RAB9ATP53DAO
SCHEMBL8784830 0.78 NPC1 (0.55) HDAC1NPC1RAB9ATP53DAO
SCHEMBL28722071 0.78 MAPT (0.54) HDAC1DAOCDC7DBF4MAOB
SCHEMBL9011958 0.78 HDAC1 (0.46) HDAC1HSD17B10GRIN2BTAAR1GRIN2A
Bromide SCHEMBL10436080 0.77 KDM4E (0.58) HDAC1NPC1RAB9ATP53DAO
SCHEMBL4765782 0.76 HPGD (0.51) NPC1RAB9ADAOALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3586383-B1 POLYMER PHOTOVOLTAIC CELL WITH AN INVERTED STRUCTURE AND PROCESS FOR ITS PREPARATION ENI SPA (IT) 2024-02-14 EP claimed
WO-2023194943-A1 BENZOHETERODIAZOLE COMPOUNDS DISUBSTITUTED WITH DITHIENOPYRROLE GROUPS ENI S.P.A. (IT) 2023-10-12 WO claimed
US-11374186-B2 Polymer photovoltaic cell with an inverted structure and process for its preparation ENI S.P.A. (IT) 2022-06-28 US claimed
US-20200067003-A1 Polymer Photovoltaic Cell with an Inverted Structure and Process for its Preparation ENI S.P.A. (IT) 2020-02-27 US claimed
WO-2016131133-A1 COMPOSITION OF PERACETIC ACID AND AT LEAST ONE ORGANIC FUNGICIDE FOR THE CONTROL OF PATHOGENS IN AND ONTO GROWING PLANTS AGRI-NEO INC. (CA) 2016-08-25 WO claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed
WO-2014188376-A1 STABILIZED PHOTOACTIVE COMPOSITION AND USE THEREOF ENI S.P.A. (IT) 2014-11-27 WO claimed
US-20140121386-A1 P-TYPE ORGANIC SEMICONDUCTOR MATERIAL AND OPTOELECTRONIC DEVICE UTILIZING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-05-01 US claimed
US-20100292433-A1 SOLUBLE POLYTHIOPHENE DERIVATIVE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-11-18 US claimed
US-7754847-B2 Homo- and copolymers prepared from fused phenylenedithiophenes which themselves are prepared by intramolecular cyclization of, e.g., a 2,5-di-2-thiophenylterephthalate; used in organic thin film transistors, organic light-emitting diode, and organic solar cells INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-07-13 US claimed
EP-2075274-B1 Soluble polythiophene derivatives IND TECH RES INST (TW) 2010-06-02 EP claimed
US-20090299029-A1 SOLUBLE POLYTHIOPHENE DERIVATIVES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-12-03 US claimed
US-20090171048-A1 Homo- and copolymers prepared from fused phenylenedithiophenes which themselves are prepared by intramolecular cyclization of, e.g., a 2,5-di-2-thiophenylterephthalate; used in organic thin film transistors, organic light-emitting diode, and organic solar cells INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-07-02 US claimed
EP-2075274-A1 Soluble polythiophene derivatives Industrial Technology Research Institute (TW) 2009-07-01 EP claimed
US-6777531-B2 POLYMERS USEFUL FOR INCORPORATION INTO ELECTRONIC DEVICES SUCH AS FETS, LEDS AND PHOTOVOLTAIC DEVICES WHICH DO NOT SHOW ANY UNWANTED RED-SHIFT CONTRIBUTION SONY INTERNATIONAL (EUROPE) GMBH (DE) 2004-08-17 US claimed
EP-1149827-B1 End-capped polyfluorenes, films and devices based thereon SONY INT EUROPE GMBH (DE) 2003-12-10 EP claimed
US-20020173617-A1 End-capped polyfluorenes, films and devices based thereon SONY DEUTSCHLAND GMBH (DE) 2002-11-21 US claimed
WO-2001081294-A1 END-CAPPED POLYFLUORENES, FILMS AND DEVICES BASED THEREON SONY INTERNATIONAL (EUROPE) GMBH (DE) 2001-11-01 WO claimed
EP-1149827-A1 End-capped polyfluorenes, films and devices based thereon Sony International (Europe) GmbH (DE) 2001-10-31 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN HDAC1 1549/4885HSD17B10 4688/4885NPC1 4859/4885

“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.