SCHEMBL2268566

SCHEMBL2268566

CCc1ccc(CNC(=O)CC#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.70
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
TPSAB1 Q15661 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2263200 0.86 MCL1 (0.70) MCL1LMNAKMT2APOLBHPGD
SCHEMBL29249541 0.84 MCL1 (0.72) MCL1LMNAKMT2ATPSAB1
SCHEMBL2263721 0.84 MCL1 (0.62) MCL1LMNAKMT2ACA12CA1
SCHEMBL2264964 0.83 MCL1 (0.70) MCL1LMNAKMT2ACA12CA1
SCHEMBL2260845 0.83 MCL1 (0.70) MCL1KMT2ACA12CA1CA2
SCHEMBL12389322 0.83 MCL1 (0.70) MCL1KMT2ACA12CA1CA2
SCHEMBL654148 0.82 MCL1 (1.00) MCL1LMNAKMT2AHPGDALDH1A1
SCHEMBL6317352 0.82 MCL1 (0.64) MCL1LMNAKMT2ACA12CA1
SCHEMBL2262274 0.82 MCL1 (0.64) MCL1LMNAKMT2AALDH1A1
SCHEMBL7025629 0.82 MCL1 (0.64) MCL1LMNAKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 MCL1 3083/4885LMNA 695/4885KMT2A 1794/4885

“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.