SCHEMBL20088441

SCHEMBL20088441

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.50
▸ BACE1 P56817 2/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.44
▸ MTOR P42345 2/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL15844152 0.90 TACR1 (0.59) TACR1BACE1BACE2MTORSMYD3
SCHEMBL20088438 0.89 TACR1 (0.49) TACR1BACE1BACE2MTORMLYCD
SCHEMBL20088445 0.86 TACR1 (0.47) TACR1MTORMMP2MMP9MMP8
SCHEMBL25780517 0.80 MTOR (0.46) TACR1MTORMLYCDF2F10
SCHEMBL15844339 0.78 TACR1 (0.53) TACR1BACE1BACE2MTORMMP2
SCHEMBL17342648 0.78 TACR1 (0.56) TACR1BACE1BACE2MTORMMP2
SCHEMBL15844016 0.77 TACR1 (0.58) TACR1BACE1BACE2MTORMLYCD
SCHEMBL21565748 0.77 TACR1 (0.53) TACR1MTORMLYCD
SCHEMBL20088443 0.76 CYP3A4 (0.48) TACR1MTORMLYCD
SCHEMBL6645974 0.75 HPGD (0.57) TACR1MTORMMP2MMP9MMP8

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 1462/4885BACE1 3036/4885BACE2 2091/4885

“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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