SCHEMBL9607554

SCHEMBL9607554

CC(C)(C)c1cc(-c2ccccc2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 9/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NOTUM Q6P988 1/20 0.49
PTGS2 P35354 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MAOB P27338 1/20 0.42
P2RY1 P47900 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL29301792 0.85 NPC1 (0.54) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL24636027 0.81 KIF11 (0.46) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12245198 0.81 PTGS2 (0.48) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12548113 0.81 NPC1 (0.51) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL17788471 0.81 ALDH1A1 (0.53) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL3753522 0.81 RAB9A (0.47) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL23604132 0.81 MAPK1 (0.48) RAB9ANPC1ALDH1A1PTGS2SMN1; SMN2
SCHEMBL3771884 0.81 ALDH1A1 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28320114 0.81 RAB9A (0.55) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28320122 0.78 RAB9A (0.52) RAB9ANPC1CASP3SENP8SENP7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 US disclosed
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 US 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 (4 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 RAB9A 892/4885NPC1 2032/4885CASP3 2380/4885
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RAB9A 1154/4885NPC1 689/4885CASP3 4611/4885
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors PTPRF, PTPA, PTPRJ RAB9A 2233/4885NPC1 2256/4885CASP3 3204/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH RAB9A 1590/4885NPC1 79/4885CASP3 2125/4885

“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.