SCHEMBL5031669

SCHEMBL5031669

COC(=O)c1ccc2nc(-c3cccnc3)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 3/20 0.65
HSD17B10 Q99714 1/20 0.65
CYP11B1 P15538 2/20 0.62
CYP19A1 P11511 1/20 0.62
CYP11B2 P19099 1/20 0.62
FHIT P49789 1/20 0.61
MAPT P10636 4/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 2/20 0.61
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
HTT P42858 1/20 0.58
KDM4E B2RXH2 4/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ATM Q13315 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
SCHEMBL4245696 0.91 CYP11B1 (0.59) ALDH1A1HPGDHSD17B10CYP11B1CYP19A1
SCHEMBL14090253 0.87 CYP19A1 (0.59) ALDH1A1HPGDHSD17B10CYP11B1CYP19A1
SCHEMBL2617479 0.86 KDM4E (0.71) ALDH1A1HPGDHSD17B10LMNAMMP2
SCHEMBL19970775 0.85 FHIT (0.80) ALDH1A1HPGDHSD17B10CYP11B1FHIT
SCHEMBL20982471 0.85 MMP2 (0.78) ALDH1A1HPGDLMNAMMP2MMP9
SCHEMBL18229646 0.84 HDAC6 (0.72) ALDH1A1HPGDHSD17B10CYP11B1FHIT
SCHEMBL14115930 0.83 MMP2 (0.65) ALDH1A1HPGDLMNAMMP2MMP9
SCHEMBL4033970 0.83 NEK1 (0.52) ALDH1A1HPGDHSD17B10CYP11B1CYP19A1
SCHEMBL26755411 0.81 HPSE (0.64) ALDH1A1HPGDHSD17B10CYP11B1FHIT
SCHEMBL19763371 0.80 CHEK2 (0.72) ALDH1A1HPGDLMNAMMP2MMP9

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 5 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
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO 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 ALDH1A1 1822/4885HPGD 3309/4885HSD17B10 3353/4885

“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.