SCHEMBL4228904

SCHEMBL4228904

CC(C)c1noc(CCNC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CHRM4 P08173 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL13853475 0.85 HSD11B1 (0.38) HSD11B1RAB9ANPC1GAAALDH1A1
SCHEMBL4213195 0.80 HTT (0.50) HSD11B1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL13731980 0.80 CYP2C9 (0.39) RAB9ANPC1GAAALDH1A1CYP2D6
SCHEMBL22593302 0.78 HSD11B1 (0.35) HSD11B1
SCHEMBL4224253 0.76 KDM4E (0.38) RAB9ANPC1GAAALDH1A1CYP2D6
SCHEMBL3714604 0.75 PIK3CG (0.37) RAB9ANPC1GAAALDH1A1CYP2D6
SCHEMBL27032725 0.75 KMT2A (0.39) CYP2D6CYP2C19CYP1A2CYP2C9MAPT
SCHEMBL10094578 0.72 NPC1 (0.41) HSD11B1RAB9ANPC1GAAALDH1A1
SCHEMBL2830746 0.72 RAB9A (0.38) RAB9ANPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL4228952 0.71 AKR1C4 (0.45) HSD11B1GAACYP2D6CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 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 (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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA HSD11B1 90/4885RAB9A 471/4885NPC1 2469/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HSD11B1 810/4885RAB9A 286/4885NPC1 2629/4885

“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.