SCHEMBL6985646

SCHEMBL6985646

CCC(C)c1nc2ccc(F)c(F)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.37
AAK1 Q2M2I8 3/20 0.33
NOS2 P35228 4/20 0.32
NOS1 P29475 3/20 0.32
NOS3 P29474 2/20 0.32
F2RL1 P55085 3/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6979127 0.83 KDM4E (0.41) SCN10ANOS2NOS1NOS3ALDH1A1
SCHEMBL6753935 0.76 SCN10A (0.38) SCN10AAAK1MEN1HTTKMT2A
SCHEMBL6987043 0.75 SCN10A (0.35) SCN10AAAK1ALPLALPIALPG
SCHEMBL13544182 0.73 DDAH1 (0.44) NOS2NOS1NOS3HTTKMT2A
SCHEMBL6756258 0.73 ELANE (0.36) SCN10AHTTALDH1A1
SCHEMBL6986516 0.71 SCN10A (0.45) SCN10AAAK1MEN1HTTKMT2A
SCHEMBL431611 0.71 ALDH1A1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL24312996 0.70 KDM4E (0.41) SCN10AHTTALDH1A1ALOX15CYP1A2
SCHEMBL11874941 0.70 AR (0.35)
SCHEMBL22962142 0.69 KDM4E (0.40) SCN10AHTTALDH1A1CYP1A2ALPL

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 2672/4885NOS2 1364/4885

“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.