SCHEMBL6986340

SCHEMBL6986340

Cc1nc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
THRB P10828 1/20 0.67
PLK1 P53350 1/20 0.55
S1PR1 P21453 7/20 0.55
S1PR3 Q99500 3/20 0.54
CHUK O15111 1/20 0.54
TXNRD1 Q16881 1/20 0.54
NOX4 Q9NPH5 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
HSP90AA1 P07900 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CASP3 P42574 3/20 0.52
POLB P06746 2/20 0.52

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
SCHEMBL3067088 0.91 LMNA (0.60) LMNATHRBPLK1S1PR1S1PR3
SCHEMBL13415301 0.84 L3MBTL1 (0.69) LMNAPLK1KDM4ENPC1RAB9A
SCHEMBL417374 0.84 NPC1 (0.61) LMNATHRBPLK1KDM4ENPC1
SCHEMBL25463239 0.82 PLK1 (0.55) LMNATHRBPLK1KDM4ENPC1
SCHEMBL15219436 0.80 L3MBTL1 (0.70) S1PR1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL22925912 0.80 NOTUM (0.61) LMNATHRBS1PR1S1PR3CHUK
SCHEMBL2360966 0.79 L3MBTL1 (0.58) LMNAPLK1SIRT2NPC1RAB9A
SCHEMBL2967349 0.79 L3MBTL1 (0.62) LMNAPLK1NPC1RAB9AL3MBTL1
SCHEMBL6979484 0.78 LMNA (0.57) LMNATHRBS1PR1S1PR3CHUK
SCHEMBL24485887 0.78 CA12 (0.49) LMNATHRBPLK1S1PR1S1PR3

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-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 LMNA 1357/4885THRB 3278/4885PLK1 1830/4885

“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.