SCHEMBL19982677

SCHEMBL19982677

COC(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.65
F10 P00742 1/20 0.65
F7 P08709 1/20 0.65
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HSD17B10 Q99714 1/20 0.64
RUNX1 Q01196 2/20 0.64
CBFB Q13951 11/20 0.61
METAP2 P50579 6/20 0.61
METAP1 P53582 4/20 0.61
PKM P14618 3/20 0.60
CHEK2 O96017 1/20 0.60
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL32660766 1.00 F2 (0.65) F2F10F7NPC1RAB9A
SCHEMBL4245430 0.90 CBFB (0.55) F2F10F7NPC1RAB9A
SCHEMBL32660751 0.90 CBFB (0.55) F2F10F7NPC1RAB9A
SCHEMBL19970726 0.85 F2 (0.70) F2F10F7NPC1RAB9A
SCHEMBL11035024 0.84 METAP1 (0.70) F2F10F7NPC1RAB9A
SCHEMBL30832867 0.84 CHEK2 (0.82) F2F10F7NPC1RAB9A
SCHEMBL14091620 0.83 ADORA3 (0.59) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL12834035 0.83 KDM4E (0.73) F2F10F7NPC1RAB9A
SCHEMBL20665788 0.82 RAB9A (0.60) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL7368935 0.82 F2 (0.71) F2F10F7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
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 F2 3169/4885F10 2712/4885F7 1005/4885

“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.