SCHEMBL2305048

SCHEMBL2305048

O=C(O)c1ccc(N2CCN(c3ccc(C(=O)Nc4cc(F)cc(I)c4)cn3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
HDAC2 Q92769 4/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 3/20 0.44
MCHR1 Q99705 1/20 0.44
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
STAT3 P40763 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC1 Q13547 1/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2302633 0.86 P2RY12 (0.51) KCNQ3KCNQ2RAB9ANPC1KMT2A
SCHEMBL2365489 0.83 KDM4E (0.47) KCNQ3KCNQ2HDAC2RAB9ANPC1
SCHEMBL2305342 0.82 RAB9A (0.59) HDAC2RAB9ANPC1KMT2AHDAC3
SCHEMBL2301584 0.80 MAPT (0.50) KCNQ3KCNQ2HDAC2RAB9ANPC1
SCHEMBL2356882 0.80 RAB9A (0.50) KCNQ3KCNQ2HDAC2RAB9ANPC1
SCHEMBL2300993 0.80 MAPT (0.50) KCNQ3KCNQ2RAB9ANPC1KMT2A
SCHEMBL2301016 0.80 RAB9A (0.55) HDAC2RAB9ANPC1KMT2AMCHR1
SCHEMBL2357604 0.78 RAB9A (0.56) KCNQ3KCNQ2RAB9ANPC1KMT2A
SCHEMBL13328371 0.77 RAB9A (0.66) RAB9ANPC1KMT2AMCHR1MAPT
SCHEMBL2356592 0.77 MAPT (0.54) RAB9AHDAC3MAPTSMN1; SMN2STAT3

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 11 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 claimed
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 KCNQ3 410/4885KCNQ2 300/4885HDAC2 1730/4885

“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.