SCHEMBL20094558

SCHEMBL20094558

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
PSMB8 P28062 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.45
ULK1 O75385 1/20 0.44
SCN3A Q9NY46 2/20 0.44
SCN9A Q15858 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
HTR2C P28335 1/20 0.43
GPR35 Q9HC97 1/20 0.43
LMNA P02545 1/20 0.42
P2RX1 P51575 1/20 0.42
TERT O14746 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 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
SCHEMBL20094229 1.00 KDR (0.51) KDRPSMB8SMN1; SMN2MAPTULK1
SCHEMBL20094557 1.00 KDR (0.51) KDRPSMB8SMN1; SMN2MAPTULK1
SCHEMBL20088373 0.91 KDR (0.47) KDRPSMB8SMN1; SMN2MAPTULK1
SCHEMBL20088371 0.91 KDR (0.47) KDRPSMB8SMN1; SMN2MAPTULK1
SCHEMBL21580333 0.86 SCN3A (0.52) KDRPSMB8ULK1SCN3ASCN9A
SCHEMBL4282333 0.81 HTR1A (0.43) KDRSMN1; SMN2HTR2CLMNATERT
SCHEMBL4274244 0.81 HTR1A (0.43) KDRSMN1; SMN2HTR2CLMNATERT
SCHEMBL4270711 0.81 HTR1A (0.43) KDRSMN1; SMN2HTR2CLMNATERT
SCHEMBL4270706 0.81 HTR1A (0.43) KDRSMN1; SMN2HTR2CLMNATERT
SCHEMBL4274250 0.81 HTR1A (0.43) KDRSMN1; SMN2HTR2CLMNATERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351514-B2 Benzimidazole inhibitors of the sodium channel Mark G. DeGiacomo, Interim Trustee (US) 2019-07-16 US disclosed
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 (2 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-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 KDR 4653/4885PSMB8 3868/4885SMN1; SMN2 307/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 KDR 4653/4885PSMB8 3868/4885SMN1; SMN2 307/4885

“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.