SCHEMBL2093741

SCHEMBL2093741

Cc1nc(-c2ccccc2)c(C)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59
NTRK1 P04629 1/20 0.54
MAOA P21397 6/20 0.51
MAOB P27338 6/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
RARA P10276 1/20 0.51
RARB P10826 1/20 0.51
RARG P13631 1/20 0.51
ALOX5 P09917 2/20 0.50
AR P10275 1/20 0.50
HTR7 P34969 1/20 0.50
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
OPRK1 P41145 1/20 0.47
GSTO1 P78417 1/20 0.47
XIAP P98170 1/20 0.46

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
Formamide SCHEMBL28723243 0.89 ALDH1A1 (0.50) ALDH1A1HPGDNTRK1MAOAMAOB
SCHEMBL7951904 0.83 ALDH1A1 (0.65) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL12618487 0.83 RARA (0.65) ALDH1A1MAOAMAOBMEN1MAPT
SCHEMBL2096231 0.81 RARA (0.73) ALDH1A1MAOAMAOBMEN1MAPT
SCHEMBL3763258 0.81 MAOA (0.50) ALDH1A1MAOAMAOBMEN1MAPT
SCHEMBL8472083 0.81 ALDH1A1 (0.58) ALDH1A1HPGDNTRK1MAOAMAOB
SCHEMBL526264 0.81 PTGS2 (0.69) ALDH1A1HPGDNTRK1MEN1MAPT
SCHEMBL8202097 0.80 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL543809 0.79 NTRK1 (0.51) ALDH1A1HPGDNTRK1MEN1MAPT
SCHEMBL22650293 0.79 NTRK1 (0.51) ALDH1A1HPGDNTRK1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3799871-B1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOTOTIC BAX DANA FARBER CANCER INST INC (US) 2024-02-28 EP disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11358960-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-14 US disclosed
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2021-07-08 US disclosed
EP-3799871-A2 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOTOTIC BAX Dana Farber Cancer Institute, Inc. (US) 2021-04-07 EP disclosed
EP-3792251-A1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS Elanco Tiergesundheit AG (CH) 2021-03-17 EP disclosed
US-20210032234-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX DANA-FARBER CANCER INSTITUTE, INC. 2021-02-04 US disclosed
EP-2766355-B1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX DANA FARBER CANCER INST INC (US) 2020-12-23 EP disclosed
US-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 US disclosed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
US-20070070159-A1 Ink composition, ink set and recording method FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20070070159-A1 Ink composition, ink set and recording method FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20070052783-A1 Ink for inkjet printing ink set for inkjet printing inkjet recording material and producing method for inkjet recording material and inkjet recording method FUJIFILM CORPORATION (JP) 2007-03-08 US disclosed
US-20070052783-A1 Ink for inkjet printing ink set for inkjet printing inkjet recording material and producing method for inkjet recording material and inkjet recording method FUJIFILM CORPORATION (JP) 2007-03-08 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 (7 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-20210032234-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX BAX, BAD, CASP3 ALDH1A1 3612/4885HPGD 968/4885NTRK1 3806/4885
US-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX BAX, BAD, CASP3 ALDH1A1 3612/4885HPGD 968/4885NTRK1 3806/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885HPGD 3159/4885NTRK1 777/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 ALDH1A1 2109/4885HPGD 1639/4885NTRK1 4878/4885
US-11358960-B2 Pyrazol-3-ones that activate pro-apoptotic BAX BAX, BAD, CASP3 ALDH1A1 3612/4885HPGD 968/4885NTRK1 3806/4885
US-20210205275-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 ALDH1A1 1731/4885HPGD 1610/4885NTRK1 2964/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ALDH1A1 140/4885HPGD 57/4885NTRK1 4203/4885

“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.