SCHEMBL3594582

SCHEMBL3594582

O=C(CCl)N1CCC(c2csc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CPT1A P50416 2/20 0.36
CPT2 P23786 1/20 0.36
P2RY14 Q15391 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 1/20 0.35
MAP3K12 Q12852 1/20 0.35

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
SCHEMBL3584160 0.89 RORC (0.38) SMYD3ALDH1A1
SCHEMBL3582043 0.82 CXCR3 (0.39)
SCHEMBL3583398 0.81 CNR2 (0.39) SMYD3ALDH1A1
SCHEMBL13031558 0.80 ALDH1A1 (0.38) SMYD3ALDH1A1P2RY14MEN1KMT2A
SCHEMBL3584366 0.78 CXCR3 (0.50)
SCHEMBL3587345 0.77 GRIN2B (0.42) CPT1ACPT2
SCHEMBL3581026 0.77 GRIN2B (0.38) CPT1ACPT2
SCHEMBL3583166 0.77 GRIN2B (0.40) CPT1ACPT2
SCHEMBL3590433 0.77 TRPC3 (0.40) ALDH1A1CPT1ACPT2KDM4ETRPC3
SCHEMBL3586581 0.76 GAA (0.36) CPT1A

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 RHOC 4155/4885RHOA 2822/4885SMYD3 4784/4885

“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.