SCHEMBL1756320

SCHEMBL1756320

[c]1n[nH]c2cccc(-c3[nH]cc4ccccc34)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
HSD17B10 Q99714 2/20 0.33
IMPDH2 P12268 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CLK1 P49759 1/20 0.31
GSK3B P49841 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
SCHEMBL3079936 0.80 BCHE (0.40) BCHEHSD17B10MAPK1MAPTSMN1; SMN2
SCHEMBL693684 0.76 BCHE (0.47) BCHEMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL16516668 0.73 KDM4E (0.31) BCHE
SCHEMBL315924 0.72 KDM4E (0.50) HSD17B10MAPK1MAPTALDH1A1LMNA
SCHEMBL2353932 0.72 METAP2 (0.47) HSD17B10MAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4363073 0.71 BCHE (0.33) BCHEHSD17B10IMPDH2MAPK1MAPT
SCHEMBL1965150 0.71 RAB9A (0.48) HSD17B10MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL3002 0.70 ALDH1A1 (0.41) HSD17B10MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL543407 0.70 NPC1 (0.45) HSD17B10MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL244798 0.69 CSNK1A1 (0.41) ALDH1A1MEN1KMT2ANISCHPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722901-B2 Carboxy oxazole or thiazole compounds as DGAT-1 inhibitors useful for the treatment of obesity Piramal Enterprises Limited (IN) 2014-05-13 US disclosed
EP-2536687-A2 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES Novartis AG (CH) 2012-12-26 EP disclosed
EP-2496564-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS Piramal Life Sciences Limited (IN) 2012-09-12 EP disclosed
US-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY Piramal Enterprises Limited (IN) 2012-08-23 US disclosed
WO-2011055289-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 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 (1 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-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY DGAT1, DGAT2, DLAT BCHE 951/4885HSD17B10 186/4885IMPDH2 2391/4885

“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.