SCHEMBL1893014

SCHEMBL1893014

CC(CCn1nc(C(F)(F)F)c2c1CCCC2)C(=O)NC(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 4/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
GRIA2 P42262 2/20 0.41
POLQ O75417 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7992248 0.88 SMN1; SMN2 (0.51) MAPTCYP1A2CYP2C19LMNATP53
SCHEMBL1007129 0.79 MAPT (0.53) MAPTCYP1A2CYP2C19LMNATP53
SCHEMBL1007548 0.76 MAPT (0.56) MAPTCYP1A2CYP2C19LMNATP53
SCHEMBL1895516 0.76 SMN1; SMN2 (0.52) MAPTCYP1A2CYP2C19CYP2D6LMNA
SCHEMBL1889915 0.75 SMN1; SMN2 (0.55) MAPTCYP1A2CYP2C19LMNATP53
SCHEMBL1007286 0.75 ALDH1A1 (0.62) MAPTCYP1A2CYP2C19LMNATP53
SCHEMBL1898637 0.75 POLQ (0.52) MAPTCYP1A2CYP2C19LMNATP53
SCHEMBL1891758 0.75 POLB (0.56) MAPTCYP1A2CYP2C19TP53GAA
SCHEMBL1008280 0.75 MAPT (0.49) MAPTCYP1A2CYP2C19LMNATP53
SCHEMBL1006393 0.74 ALDH1A1 (0.56) MAPTLMNATP53GAAALDH1A1

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 MAPT 4623/4885CYP1A2 2476/4885CYP2C19 3268/4885

“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.