SCHEMBL853857

SCHEMBL853857

S=c1[nH]c2ccccc2[nH]c1=S

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
PSMB8 P28062 4/20 0.67
HSD17B10 Q99714 4/20 0.67
MAPT P10636 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
CYP3A4 P08684 2/20 0.67
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 6/20 0.50
GAA P10253 3/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
RXFP1 Q9HBX9 3/20 0.48
GPR3 P46089 1/20 0.45
HPGD P15428 3/20 0.44
ALOX15 P16050 2/20 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
2-Mercaptobenzimidazole SCHEMBL705730 0.80 ALDH1A1 (1.00) ALDH1A1PSMB8HSD17B10MAPTTDP1
2-Mercaptobenzimidazole SCHEMBL29360590 0.80 ALDH1A1 (1.00) ALDH1A1PSMB8HSD17B10MAPTTDP1
2-Mercaptobenzimidazole SCHEMBL29562524 0.78 ALDH1A1 (0.94) ALDH1A1PSMB8HSD17B10MAPTTDP1
SCHEMBL3063883 0.75 KMT2A (1.00) ALDH1A1PSMB8HSD17B10MAPTTDP1
SCHEMBL31414198 0.75 KMT2A (1.00) ALDH1A1PSMB8HSD17B10MAPTTDP1
SCHEMBL31414202 0.75 KMT2A (1.00) ALDH1A1PSMB8HSD17B10MAPTTDP1
2-Mercaptobenzimidazole SCHEMBL7550230 0.69 ALDH1A1 (0.75) ALDH1A1PSMB8HSD17B10MAPTTDP1
SCHEMBL4957425 0.69 ALDH1A1 (0.56) ALDH1A1PSMB8HSD17B10MAPTTDP1
SCHEMBL11323975 0.69 KDM4E (0.61) ALDH1A1PSMB8HSD17B10MAPTTDP1
SCHEMBL2777925 0.69 DAO (0.60) ALDH1A1HSD17B10MAPTTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867377-B2 Composition comprising a biological control agent and an insecticide BAYER CROPSCIENCE AG (DE) 2018-01-16 US claimed
US-20170265479-A1 COMPOSITION COMPRISING BIOLOGICAL CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2017-09-21 US claimed
US-20150148230-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2015-05-28 US claimed
WO-2023135582-A1 NEW STEREORETENTIVE RUTHENIUM COMPLEXES, METHOD OF THEIR PREPARATION, INTERMEDIATES USED IN THIS METHOD AND USE OF NEW STEREORETENTIVE RUTHENIUM COMPLEXES IN OLEFIN METATHESIS REACTIONS UNIWERSYTET WARSZAWSKI (PL) 2023-07-20 WO disclosed
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-9598447-B2 Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
EP-2654751-B1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA LP (US) 2016-11-23 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
WO-2012085648-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
EP-0614471-B1 VINYL CHLORIDE AND HETEROCYCLIC THIONE FUNCTIONAL POLYURETHANE POLYMER BLENDS AND THEIR USE IN MAGNETIC RECORDING MEDIA MINNESOTA MINING & MFG (US) 1997-05-07 EP disclosed
EP-0492963-B1 Heterocyclic thione functional polyurethane polymers and their use in magnetic recording media MINNESOTA MINING & MFG (US) 1996-07-24 EP disclosed
US-5246788-A VINYL CHLORIDE AND HETEROCYCLIC THIONE FUNCTIONAL POLYURETHANE POLYMER BLENDS AND THEIR USE IN MAGNETIC RECORDING MEDIA MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-09-21 US disclosed
EP-0492963-A2 Heterocyclic thione functional polyurethane polymers and their use in magnetic recording media MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-07-01 EP 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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 ALDH1A1 889/4885PSMB8 2972/4885HSD17B10 4631/4885
US-20150148230-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE DDT, ACHE, BROX ALDH1A1 2817/4885PSMB8 478/4885HSD17B10 2226/4885

“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.