SCHEMBL2174337

SCHEMBL2174337

COC(C(=O)NC(C)C(N)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.48
UTS2R Q9UKP6 4/20 0.47
RAB9A P51151 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
SCHEMBL16508647 0.86 KEAP1 (0.57) KMT2ASMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL14665151 0.82 KEAP1 (0.53) KMT2ASMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL14664082 0.82 ALDH1A1 (0.54) KMT2ASMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL8584123 0.80 CTSD (0.56) KMT2AALDH1A1GAALMNA
SCHEMBL8584122 0.80 CTSD (0.56) KMT2AALDH1A1GAALMNA
SCHEMBL8476179 0.79 KMT2A (0.57) KMT2ASMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL1068632 0.79 KMT2A (0.57) KMT2ASMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL11903287 0.79 KMT2A (0.57) KMT2ASMN1; SMN2KEAP1NFE2L2ALDH1A1
SCHEMBL5843192 0.79 KEAP1 (0.52) KMT2AKEAP1NFE2L2LMNA
SCHEMBL5843204 0.79 KEAP1 (0.52) KMT2AKEAP1NFE2L2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885SMN1; SMN2 4709/4885KEAP1 907/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885SMN1; SMN2 4709/4885KEAP1 907/4885

“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.