SCHEMBL3310706

SCHEMBL3310706

Cc1sc(NC(=O)c2ccc(N3CCC(c4ccccc4)C3)nc2)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.57
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
ACKR3 P25106 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13328317 0.95 ADORA3 (0.61) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL2304901 0.88 ADORA3 (0.60) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL2303668 0.86 ADORA3 (0.71) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL2363191 0.86 ADORA3 (0.56) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL2363710 0.85 ALDH1A1 (0.61) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL2300487 0.85 ADORA3 (0.53) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL13328334 0.84 ADORA3 (0.59) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL2304459 0.84 ADORA3 (0.56) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL3309522 0.83 ALDH1A1 (0.59) ADORA3ALDH1A1LMNAKDM4EPOLB
SCHEMBL13328336 0.83 ADORA3 (0.55) ADORA3ALDH1A1LMNAKDM4EPOLB

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 8 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
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 ADORA3 1254/4885ALDH1A1 802/4885LMNA 4698/4885

“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.