SCHEMBL12989341

SCHEMBL12989341

CCCNC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.71
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
MAPT P10636 6/20 0.65
HTT P42858 4/20 0.64
RAB9A P51151 1/20 0.64
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.58
KDM4E B2RXH2 1/20 0.58
GOT1 P17174 1/20 0.58
GAA P10253 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
TP53 P04637 2/20 0.57
XBP1 P17861 2/20 0.57
PAX8 Q06710 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL5759619 0.92 MEN1 (0.61) LMNAMEN1KMT2AMAPTHTT
SCHEMBL3429585 0.88 MAPT (0.68) LMNAMEN1KMT2AMAPTHTT
SCHEMBL14685427 0.87 MAPT (0.66) LMNAMEN1KMT2AMAPTHTT
SCHEMBL23453364 0.87 MAPT (0.67) LMNAMEN1KMT2AMAPTHTT
SCHEMBL30797249 0.86 MAPT (0.64) LMNAMEN1KMT2AMAPTHTT
SCHEMBL13737287 0.86 MAPT (0.64) LMNAMEN1KMT2AMAPTHTT
SCHEMBL15767201 0.84 MEN1 (0.58) LMNAMEN1KMT2AMAPTHTT
SCHEMBL11797984 0.83 MCHR1 (0.61) LMNAMEN1KMT2AMAPTHTT
SCHEMBL5597699 0.83 KMT2A (0.90) LMNAMEN1KMT2AMAPTHTT
SCHEMBL30101230 0.83 KMT2A (0.90) LMNAMEN1KMT2AMAPTHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120794-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 US disclosed
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-8952180-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-10 US disclosed
US-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 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 (4 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-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, PNLIP LMNA 612/4885MEN1 4465/4885KMT2A 2466/4885
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB LMNA 3806/4885MEN1 3912/4885KMT2A 1287/4885
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL LMNA 1003/4885MEN1 4671/4885KMT2A 2583/4885
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 LMNA 3209/4885MEN1 4078/4885KMT2A 4525/4885

“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.