SCHEMBL3634670

SCHEMBL3634670

Nc1ccc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ACVR2A P27037 1/20 0.50
TGFBR2 P37173 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATR Q13535 3/20 0.49
HPGDS O60760 1/20 0.49
PTPN1 P18031 1/20 0.48
PTPN11 Q06124 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
FYN P06241 1/20 0.47
USP30 Q70CQ3 1/20 0.47
TTK P33981 1/20 0.47
HDAC4 P56524 2/20 0.46

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
SCHEMBL3638019 0.95 ATR (0.54) NPC1RAB9ASMN1; SMN2ATRHPGDS
SCHEMBL12156569 0.81 RAB9A (0.67) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL1543098 0.81 NPC1 (0.68) NPC1RAB9AHPGDSPTPN1PTPN11
SCHEMBL3546724 0.80 RAB9A (0.70) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL14355078 0.79 GRM5 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL15070386 0.78 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ACVR2ATGFBR2
SCHEMBL14082198 0.78 GRM5 (0.58) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL12156531 0.78 RAB9A (0.62) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL517452 0.78 NPC1 (0.73) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL14782168 0.77 CNR1 (0.50) NPC1RAB9ASMN1; SMN2

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
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NPC1 638/4885RAB9A 2193/4885SMN1; SMN2 4066/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NPC1 638/4885RAB9A 2193/4885SMN1; SMN2 4066/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NPC1 638/4885RAB9A 2193/4885SMN1; SMN2 4066/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NPC1 638/4885RAB9A 2193/4885SMN1; SMN2 4066/4885

“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.