SCHEMBL310518

SCHEMBL310518

COc1ccc2[nH]c[c]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
GFER P55789 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 3/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
AXL P30530 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MMP12 P39900 1/20 0.41
CYP1A2 P05177 2/20 0.40
HTR2B P41595 1/20 0.40
CYP2C19 P33261 1/20 0.40
PSMB8 P28062 1/20 0.40
PDE3B Q13370 1/20 0.40

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
SCHEMBL1968319 0.85 MEN1 (0.47) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL9740549 0.82 APLNR (0.42) ALDH1A1MAPTGPR84HTR2BHTR1A
SCHEMBL9738870 0.79 APLNR (0.42) GPR84HTR2BCA12CA1CA2
SCHEMBL5435375 0.77 ALOX15 (0.34) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL9741596 0.75 TUBB1 (0.56)
SCHEMBL6016057 0.74 KEAP1 (0.46) ALDH1A1MAPTKDM4EHTR1AHTR1D
SCHEMBL6015952 0.73 KDM4E (0.47) ALDH1A1KDM4EHTR1AHTR1DHTR1B
SCHEMBL6011026 0.72 GRIN2D (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5365772 0.71 PTPRC (0.47) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL7217331 0.70 CREBBP (0.47) ALDH1A1MEN1KMT2AHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105459-A Triazolopyrimidine derivative and preparation method and application thereof 五邑大学 2021-07-13 CN claimed
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 EP claimed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US claimed
CN-111423435-A (1H-imidazo [4,5-b ] pyridin-6-yl) pyridine derivatives and uses thereof 厦门大学 2020-07-17 CN claimed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US claimed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP claimed
EP-2498748-B1 NEW DYES WITH HETEROCYCLIC DISULPHIDE UNIT, COLOURING COMPOSITION COMPRISING THEM, AND METHOD FOR DYEING HUMAN KERATINOUS FIBRES ON THE BASIS OF THESE DYES OREAL (FR) 2018-09-05 EP claimed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 WO claimed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP claimed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US claimed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
EP-0245417-B1 NEW PROCESS FOR OBTAINING ALPHA-AMINO NITRILES AND THEIR APPLICATIONS TO ORGANIC SYNTHESIS Albert ROLLAND S.A. Société dite (FR) 1992-03-04 EP claimed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP claimed
US-4831045-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US claimed
US-4789673-A ANTISEROTONINE AGENTS NOVARTIS AG (CH) 1988-12-06 US claimed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US claimed
EP-0045165-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITORS CONTAINING SUCH DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1986-03-12 EP claimed
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP claimed
US-4328227-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-04 US claimed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 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 (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-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS ALDH1A1 1658/4885MEN1 3647/4885KMT2A 1062/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS ALDH1A1 1658/4885MEN1 3647/4885KMT2A 1062/4885

“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.