SCHEMBL19970738

SCHEMBL19970738

O=C(O)Cc1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 11/20 0.58
METAP2 P50579 7/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
METAP1 P53582 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
PKM P14618 4/20 0.56
LMNA P02545 4/20 0.56
HPGD P15428 3/20 0.56
MTOR P42345 1/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL6616899 0.86 CBFB (0.60) CBFBMETAP2NPC1RAB9AMETAP1
SCHEMBL125118 0.84 CBFB (0.80) CBFBMETAP2NPC1RAB9AMETAP1
SCHEMBL32660737 0.84 CBFB (0.80) CBFBMETAP2NPC1RAB9AMETAP1
SCHEMBL17525961 0.83 METAP2 (0.60) CBFBMETAP2NPC1RAB9AMETAP1
SCHEMBL7468723 0.83 PPARG (0.58) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL23704308 0.82 METAP2 (0.61) CBFBMETAP2NPC1RAB9AMETAP1
Hydrochloric Acid SCHEMBL7231022 0.82 PPARG (0.57) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL124343 0.82 CBFB (0.80) CBFBMETAP2NPC1RAB9AMETAP1
SCHEMBL13675150 0.82 CBFB (0.62) CBFBMETAP2NPC1RAB9AMETAP1
SCHEMBL29994214 0.82 METAP2 (0.61) CBFBMETAP2NPC1RAB9AMETAP1

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-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 (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 CBFB 3631/4885METAP2 4104/4885NPC1 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.