SCHEMBL20088438

SCHEMBL20088438

Cc1cc(CNC(=O)CN)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.49
▸ CACNA1H O95180 2/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ BACE2 Q9Y5Z0 1/20 0.46
▸ MTOR P42345 2/20 0.46
▸ MLYCD O95822 1/20 0.45
▸ CARM1 Q86X55 1/20 0.42
▸ AOC3 Q16853 2/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15844016 0.89 TACR1 (0.58) TACR1CACNA1HBACE1BACE2MTOR
SCHEMBL20088441 0.89 TACR1 (0.50) TACR1BACE1BACE2MTORMLYCD
SCHEMBL1274028 0.84 TACR1 (0.50) TACR1CACNA1HBACE1BACE2MTOR
SCHEMBL20088445 0.83 TACR1 (0.47) TACR1MTORMLYCDP2RX1TMPRSS4
SCHEMBL25780517 0.82 MTOR (0.46) TACR1MTORMLYCDP2RX1TMPRSS4
SCHEMBL10296153 0.80 LMNA (0.45) CARM1AOC3ALDH1A1
SCHEMBL21565748 0.79 TACR1 (0.53) TACR1MTORMLYCD
Trifluoroacetic Acid SCHEMBL1273967 0.79 TACR1 (0.49) TACR1CACNA1HBACE1BACE2MTOR
SCHEMBL20088443 0.79 CYP3A4 (0.48) TACR1MTORMLYCD
SCHEMBL13884195 0.78 L3MBTL1 (0.64) BACE1MLYCDAOC3ALDH1A1L3MBTL1

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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 — — 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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 TACR1 1462/4885CACNA1H 65/4885BACE1 3036/4885

“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.

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