SCHEMBL6979484

SCHEMBL6979484

CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
THRB P10828 1/20 0.57
DPP4 P27487 1/20 0.56
DPP7 Q9UHL4 1/20 0.56
S1PR1 P21453 7/20 0.55
S1PR3 Q99500 3/20 0.54
CHUK O15111 1/20 0.50
TXNRD1 Q16881 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
CASP3 P42574 3/20 0.49
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL16088929 0.88 DPP4 (0.60) LMNATHRBDPP4DPP7S1PR1
SCHEMBL20853360 0.82 NPC1 (0.59) DPP4DPP7S1PR1S1PR3CASP3
SCHEMBL24386372 0.82 DPP4 (0.52) LMNATHRBDPP4DPP7S1PR1
SCHEMBL23558949 0.81 RAB9A (0.51) LMNADPP4S1PR1S1PR3SIRT2
SCHEMBL11020935 0.81 SMN1; SMN2 (0.59) LMNAS1PR1S1PR3NPC1RAB9A
SCHEMBL14153242 0.80 RAB9A (0.54) LMNADPP4S1PR1S1PR3SIRT2
SCHEMBL12188525 0.80 SMN1; SMN2 (0.57) LMNANPC1RAB9ATP53MAPT
SCHEMBL12126068 0.80 HTT (0.51) LMNADPP4DPP7S1PR1S1PR3
SCHEMBL8592523 0.80 HTT (0.51) LMNAS1PR1S1PR3NPC1RAB9A
SCHEMBL20853053 0.79 IDH1 (0.47) DPP4DPP7S1PR1S1PR3NPC1

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 3278/4885DPP4 1955/4885

“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.