Sugi Predict

Sugi Predict / Compounds / SCHEMBL3311847

SCHEMBL3311847

SCHEMBL3311847

COCCN(C)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.68
▸ LMNA P02545 5/20 0.68
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ ALDH1A1 P00352 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 10/20 0.52
▸ TP53 P04637 5/20 0.52
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49

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
SCHEMBL2305783 0.79 POLB (0.61) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL3313526 0.76 ALDH1A1 (0.50) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL2355300 0.74 MAPT (0.51) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL3312659 0.74 ALDH1A1 (0.54) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4957325 0.74 MAPT (0.71) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL3314835 0.73 ADORA3 (0.58) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL3310614 0.73 MAPT (0.55) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL30953836 0.72 POLB (0.64) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL2303022 0.72 KDM4E (0.51) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4963803 0.71 MAPT (0.67) KDM4ELMNASMN1; SMN2ALDH1A1HPGD

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 9 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
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 KDM4E 3683/4885LMNA 4698/4885SMN1; SMN2 4749/4885

“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.