SCHEMBL96122

SCHEMBL96122

[CH2]C(=O)Nc1ccccc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.69
NPC1 O15118 2/20 0.69
HPGD P15428 5/20 0.67
ALDH1A1 P00352 2/20 0.67
POLB P06746 2/20 0.60
ALOX12 P18054 1/20 0.56
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.55
EPHX1 P07099 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
DDX3X O00571 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGB1 P05556 1/20 0.53
ITGAV P06756 1/20 0.53
ITGA5 P08648 1/20 0.53

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
SCHEMBL2307136 0.83 NPC1 (0.56) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL2344209 0.82 NPC1 (1.00) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL31411480 0.82 NPC1 (1.00) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL665339 0.82 RAB9A (0.75) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL1275926 0.82 RAB9A (0.75) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL96123 0.80 HPGD (1.00) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL29521664 0.80 POLB (0.75) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL2090648 0.80 RAB9A (0.72) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL81434 0.80 POLB (0.75) RAB9ANPC1HPGDALDH1A1POLB
Hydrochloric Acid SCHEMBL11453497 0.80 RAB9A (0.72) RAB9ANPC1HPGDALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 CN claimed
US-4123607-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1978-10-31 US claimed
CN-114456166-B 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2023-06-16 CN disclosed
CN-114456166-B 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2023-06-16 CN disclosed
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 CN disclosed
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 RAB9A 2824/4885NPC1 2404/4885HPGD 3159/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 RAB9A 2273/4885NPC1 2922/4885HPGD 2322/4885

“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.