SCHEMBL2302891

SCHEMBL2302891

Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1I

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
KCNQ3 O43525 1/20 0.60
KCNQ2 O43526 1/20 0.60
STAT3 P40763 1/20 0.58
BRAF P15056 4/20 0.55
RAF1 P04049 3/20 0.55
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL13363955 0.90 KCNQ3 (0.57) MAPTCYP1A2CYP2C19SMN1; SMN2KCNQ3
SCHEMBL2300742 0.87 KCNH2 (0.54) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL2356882 0.87 RAB9A (0.50) MAPTCYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL2363332 0.85 MCHR1 (0.48) MAPTCYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL4251030 0.84 MAPT (0.86) MAPTCYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL2358707 0.84 RAB9A (0.54) MAPTCYP1A2CYP2C19SMN1; SMN2RAB9A
SCHEMBL2305153 0.84 RAB9A (0.49) MAPTCYP1A2CYP2C19SMN1; SMN2KCNQ3
SCHEMBL2300984 0.83 RAB9A (0.45) MAPTCYP1A2CYP2C19SMN1; SMN2KCNQ3
SCHEMBL3311413 0.83 USP30 (0.53) MAPTCYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL2303707 0.83 P2RY12 (0.52) MAPTCYP1A2CYP2C19SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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 (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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 MAPT 4008/4885CYP1A2 571/4885CYP2C19 1036/4885

“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.