SCHEMBL3633642

SCHEMBL3633642

Nc1ccc(-c2ccc(C(=O)NC3CC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.72
NPC1 O15118 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
SMYD3 Q9H7B4 5/20 0.67
MAPK14 Q16539 2/20 0.54
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
TTK P33981 1/20 0.51
MAPK11 Q15759 1/20 0.51
BMPR1B O00238 1/20 0.50
BMPR1A P36894 1/20 0.50
TGFBR1 P36897 1/20 0.50
ACVRL1 P37023 1/20 0.50
ACVR1 Q04771 1/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50

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
SCHEMBL3442327 0.94 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30583805 0.94 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1664232 0.91 SMYD3 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12156569 0.87 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12156531 0.87 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14117659 0.86 NPC1 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3546724 0.86 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL31398150 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15768885 0.84 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2979351 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN disclosed
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 RAB9A 2193/4885NPC1 638/4885SMN1; SMN2 4066/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT RAB9A 2193/4885NPC1 638/4885SMN1; SMN2 4066/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT RAB9A 2193/4885NPC1 638/4885SMN1; SMN2 4066/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT RAB9A 2193/4885NPC1 638/4885SMN1; 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.