SCHEMBL19982680

SCHEMBL19982680

COC(=O)c1ccc2nc(C(c3ccccc3)c3ccccc3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.57
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 3/20 0.55
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
CHEK2 O96017 1/20 0.48
ABCC4 O15439 1/20 0.48
USP2 O75604 1/20 0.48
ABL1 P00519 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDR P35968 1/20 0.48
HIF1A Q16665 1/20 0.48
KIF11 P52732 1/20 0.48
BRD4 O60885 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL17263165 0.85 MLKL (0.62) MLKLALDH1A1CHEK2ABL1SMN1; SMN2
SCHEMBL18678933 0.85 CHEK2 (0.56) MLKLALDH1A1L3MBTL1CHEK2SMN1; SMN2
SCHEMBL4249669 0.83 KDM4E (0.61) MLKLALDH1A1LMNAHTTKDM4E
SCHEMBL30349840 0.82 ALDH1A1 (0.64) MLKLALDH1A1LMNAHTTKDM4E
SCHEMBL18678908 0.80 ATM (0.54) MLKLHTTL3MBTL1USP2SMN1; SMN2
SCHEMBL18662764 0.79 ACSS2 (0.49) MLKLALDH1A1POLBMAPK1
SCHEMBL18662762 0.79 ACSS2 (0.49) MLKLALDH1A1POLBMAPK1
SCHEMBL2617479 0.78 KDM4E (0.71) ALDH1A1LMNAKDM4ECHEK2BRD4
SCHEMBL12834035 0.76 KDM4E (0.73) ALDH1A1LMNAHTTKDM4EL3MBTL1
SCHEMBL3871413 0.76 HDAC6 (0.60) ALDH1A1LMNAHTTKDM4EL3MBTL1

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 MLKL 1019/4885ALDH1A1 1822/4885LMNA 614/4885

“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.