SCHEMBL3310965

SCHEMBL3310965

O=C(O)c1ccc(N2CC=C(c3ccccc3)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TSHR P16473 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LDHA P00338 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
SMO Q99835 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX15 P16050 2/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
HTR1A P08908 2/20 0.41

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
SCHEMBL2305058 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRKDM4ENPSR1
SCHEMBL6590995 0.75 KMT2A (0.72) ALDH1A1SMN1; SMN2KDM4EHSD17B10SMO
SCHEMBL29784322 0.74 UBE2T (0.63) ALDH1A1SMN1; SMN2KDM4ENPSR1HSD17B10
SCHEMBL31352228 0.74 UBE2T (0.58) ALDH1A1SMN1; SMN2KDM4EHSD17B10SMO
SCHEMBL19836997 0.74 UBE2T (0.58) ALDH1A1SMN1; SMN2KDM4EHSD17B10SMO
SCHEMBL1989630 0.74 UBE2T (0.63) ALDH1A1SMN1; SMN2KDM4ENPSR1HSD17B10
SCHEMBL184277 0.72 UBE2T (0.61) ALDH1A1SMN1; SMN2KDM4ENPSR1HSD17B10
SCHEMBL4850532 0.72 UBE2T (0.61) ALDH1A1SMN1; SMN2KDM4ENPSR1HSD17B10
SCHEMBL31121525 0.71 LOXL2 (0.54) ALDH1A1SMN1; SMN2TSHRKDM4ENPSR1
SCHEMBL18923057 0.71 SMO (0.53) ALDH1A1SMN1; SMN2TSHRKDM4EHSD17B10

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
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
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

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 ALDH1A1 802/4885SMN1; SMN2 4749/4885TSHR 1010/4885

“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.