SCHEMBL19970813

SCHEMBL19970813

FC(F)(F)Oc1ccc(CN2CCN(Cc3ccc4[nH]c(-c5ccccn5)nc4c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 11/20 0.60
RUNX1 Q01196 5/20 0.60
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
PRCP P42785 1/20 0.45
METAP2 P50579 2/20 0.45
METAP1 P53582 2/20 0.45
HPGD P15428 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL19970757 0.93 CBFB (0.58) CBFBRUNX1NPC1RAB9ALMNA
SCHEMBL19970814 0.92 CBFB (0.69) CBFBRUNX1NPC1RAB9AMETAP2
SCHEMBL19970847 0.88 RUNX1 (0.51) CBFBRUNX1NPC1LMNAPKM
SCHEMBL19970772 0.87 CBFB (0.57) CBFBRUNX1NPC1RAB9ALMNA
SCHEMBL19970740 0.86 RUNX1 (0.54) RUNX1ALDH1A1TSHR
SCHEMBL19970758 0.85 CBFB (0.66) CBFBRUNX1NPC1RAB9AMETAP2
SCHEMBL19970849 0.83 RUNX1 (0.58) CBFBRUNX1
SCHEMBL179143 0.82 CBFB (0.81) CBFBRUNX1NPC1RAB9ALMNA
SCHEMBL19970729 0.82 NAMPT (0.49) RUNX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19970748 0.81 STAT3 (0.51) CBFBRUNX1NPC1LMNASMN1; SMN2

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-11479571-B2 Benzimidazol derivatives for treating filovirus infection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-25 US disclosed
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION UNIVERSITE D'ORLEANS (FR) 2021-09-23 US 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 (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-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION FIP1L1, ZC3HAV1, MAVS CBFB 3631/4885RUNX1 2083/4885NPC1 1156/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS CBFB 3631/4885RUNX1 2083/4885NPC1 1156/4885

“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.