SCHEMBL15945548

SCHEMBL15945548

Cc1cnc(NCCC(C)(C)C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
JAK2 O60674 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
MC4R P32245 1/20 0.40
CCR6 P51684 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36

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
SCHEMBL15945540 0.83 NOS3 (0.37) ALDH1A1JAK2HRH4KDM4EHRH2
SCHEMBL9189935 0.80 STK17A (0.43) POLBKMT2AMEN1RAB9AALDH1A1
SCHEMBL12037997 0.78 PGK1 (0.42) POLBKMT2AMEN1HTTL3MBTL1
SCHEMBL23028648 0.74 POLB (0.39) POLBKMT2AMEN1RAB9AALDH1A1
SCHEMBL13781496 0.72 POLB (0.61) POLBKMT2AMEN1RAB9AALDH1A1
SCHEMBL29168216 0.71 GRM4 (0.39) KMT2AMEN1RAB9AALDH1A1HTT
SCHEMBL11564873 0.71 ALDH1A1 (0.46) POLBRAB9AALDH1A1HTTLMNA
SCHEMBL11566064 0.70 HDAC4 (0.50) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL15945544 0.70 POLB (0.46) POLBKMT2AMEN1RAB9AALDH1A1
SCHEMBL4371544 0.70 NOS3 (0.39) KMT2AMEN1RAB9AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 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-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL POLB 1340/4885KMT2A 2547/4885MEN1 4658/4885

“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.