SCHEMBL429152

SCHEMBL429152

O=CNc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.35
SOS1 Q07889 1/20 0.35
EGFR P00533 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.32
ERN1 O75460 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL17748457 0.84 RAPGEF4 (0.42) ALDH1A1RAPGEF4EGFRLMNAERN1
SCHEMBL18860247 0.81 HDAC3 (0.42) ALDH1A1EGFRHDAC3HDAC1HDAC2
SCHEMBL24038693 0.81 GRM5 (0.39)
SCHEMBL1588979 0.80 ALDH1A1 (0.55) ALDH1A1LMNA
SCHEMBL23360887 0.80 NQO2 (0.41) ALDH1A1
SCHEMBL1187384 0.77 ALDH1A1 (0.42) ALDH1A1RAPGEF4EGFRCES2CES1
SCHEMBL1189639 0.77 ALDH1A1 (0.54) ALDH1A1RAPGEF4CA12CA9IDO1
SCHEMBL13039534 0.77 ALDH1A1 (0.54) ALDH1A1RAPGEF4CA12CA9IDO1
SCHEMBL27691414 0.75 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL16719646 0.75 ALDH1A1 (0.37) ALDH1A1

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
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed
CN-111909083-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2020-11-10 CN disclosed
CN-106660982-B Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2020-09-08 CN disclosed
EP-3332785-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2020-05-06 EP disclosed
US-10385047-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-08-20 US disclosed
US-10106534-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-10-23 US disclosed
US-20180251458-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-06 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 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
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 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 (6 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-20180251458-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6A, KDM1A ALDH1A1 475/4885RAPGEF4 1596/4885SOS1 2756/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885RAPGEF4 4025/4885SOS1 768/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885RAPGEF4 4155/4885SOS1 2442/4885
US-10106534-B2 Histone demethylase inhibitors KDM1B, KDM6A, KDM1A ALDH1A1 475/4885RAPGEF4 1596/4885SOS1 2756/4885
US-10385047-B2 Histone demethylase inhibitors KDM1B, KDM6A, KDM1A ALDH1A1 475/4885RAPGEF4 1596/4885SOS1 2756/4885
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL ALDH1A1 309/4885RAPGEF4 4599/4885SOS1 4231/4885

“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.