SCHEMBL3133910

SCHEMBL3133910

NC(=O)c1ccc(O[C@H]2CCNC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.64
SENP8 Q96LD8 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
CHEK2 O96017 2/20 0.55
MAP4K4 O95819 1/20 0.51
F10 P00742 8/20 0.51
F2 P00734 3/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
PARP15 Q460N3 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
Hydrochloric Acid SCHEMBL3127575 0.98 PARP10 (0.62) PARP10SENP8SENP6CHEK2MAP4K4
SCHEMBL3634169 0.91 PARP10 (0.69) PARP10SENP8SENP6CHEK2MAP4K4
SCHEMBL4798997 0.90 PARP10 (0.73) PARP10SENP8SENP6CHEK2MAP4K4
Hydrochloric Acid SCHEMBL3636392 0.89 PARP10 (0.71) PARP10SENP8SENP6CHEK2MAP4K4
SCHEMBL9596396 0.87 PARP10 (0.67) PARP10SENP8SENP6CHEK2MAP4K4
SCHEMBL20165033 0.86 ALDH1A1 (0.57) SENP8SENP6F10F2CHRNB2
SCHEMBL20165032 0.86 ALDH1A1 (0.57) SENP8SENP6F10F2CHRNB2
SCHEMBL24583554 0.82 CA1 (0.49) F10F2CHRNB2CHRNA4
SCHEMBL2432586 0.82 CA1 (0.49) F10F2CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL6156463 0.81 PARP10 (0.60) PARP10SENP8SENP6CHEK2MAP4K4

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
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO 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 (5 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP10 1539/4885SENP8 3062/4885SENP6 2509/4885
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT PARP10 1690/4885SENP8 3165/4885SENP6 2605/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP10 1539/4885SENP8 3062/4885SENP6 2509/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP10 1539/4885SENP8 3062/4885SENP6 2509/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP10 1539/4885SENP8 3062/4885SENP6 2509/4885

“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.