SCHEMBL19982647

SCHEMBL19982647

FC(F)(F)Oc1ccc(CN2CCN(Cc3ccc4nc(C(c5ccccc5)c5ccccc5)[nH]c4c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 2/20 0.51
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
BACE1 P56817 3/20 0.44
SCN10A Q9Y5Y9 1/20 0.41
GPR183 P32249 1/20 0.41
PHGDH O43175 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
KMT2A Q03164 1/20 0.39
DRD4 P21917 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
PIK3CA P42336 1/20 0.39
PRKAA2 P54646 1/20 0.39
ROCK2 O75116 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL19970759 0.94 RUNX1 (0.47) RUNX1ALDH1A1TSHRBCHEACHE
SCHEMBL19970790 0.92 RUNX1 (0.50) RUNX1ALDH1A1SCN10AFGFR1FLT1
SCHEMBL19970743 0.88 LSS (0.51) RUNX1ALDH1A1TSHRGPR183KMT2A
SCHEMBL19970734 0.87 KCNH2 (0.48) ALDH1A1BCHEACHEBACE1FGFR1
SCHEMBL19970789 0.85 OPRM1 (0.47) RUNX1ALDH1A1BCHEACHEBACE1
SCHEMBL19970741 0.83 RUNX1 (0.61) RUNX1ALDH1A1TSHRBCHEACHE
SCHEMBL19970742 0.82 LSS (0.51) ALDH1A1TSHRGPR183KMT2ADRD3
SCHEMBL19970787 0.81 STAT3 (0.48) RUNX1ALDH1A1TSHRKMT2AKCNH2
SCHEMBL30011248 0.81 SIGMAR1 (0.47) ALDH1A1FGFR1FLT1
SCHEMBL19970733 0.79 CASP1 (0.43) ALDH1A1BCHEACHEBACE1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION UNIVERSITE D'ORLEANS (FR) 2021-09-23 US disclosed
WO-2018050771-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-22 WO disclosed
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP 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-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION FIP1L1, ZC3HAV1, MAVS RUNX1 2083/4885ALDH1A1 1822/4885TSHR 4568/4885

“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.