SCHEMBL6986516

SCHEMBL6986516

CCC(C)c1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.45
AAK1 Q2M2I8 6/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
CBFB Q13951 1/20 0.38

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
SCHEMBL4107335 0.82 HSD17B10 (0.61) SCN10AAAK1KDM4EHSD17B10LMNA
SCHEMBL24075322 0.79 AAK1 (0.48) SCN10AAAK1KDM4EHSD17B10LMNA
SCHEMBL5118214 0.79 AAK1 (0.48) SCN10AAAK1KDM4EHSD17B10LMNA
SCHEMBL9263421 0.79 KDM4E (0.71) SCN10AAAK1KDM4EHSD17B10LMNA
SCHEMBL4777406 0.78 HTT (0.40) AAK1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL26427165 0.75 CYP1A2 (0.67) SCN10AAAK1KDM4EHSD17B10LMNA
SCHEMBL12727236 0.75 CYP1A2 (0.50) SCN10AAAK1KDM4EHSD17B10LMNA
SCHEMBL6987043 0.74 SCN10A (0.35) SCN10AAAK1ALPLALPIALPG
SCHEMBL10299140 0.74 KDM4E (0.51) SCN10AAAK1KDM4EHSD17B10LMNA
SCHEMBL23676476 0.74 SCN10A (0.43) SCN10AAAK1KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN10A 3312/4885AAK1 2672/4885KDM4E 3970/4885

“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.