SCHEMBL19970831

SCHEMBL19970831

O=C(O)Cc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.54
NPBWR1 P48145 4/20 0.52
DGAT1 O75907 3/20 0.50
KCNH2 Q12809 2/20 0.50
HPSE Q9Y251 2/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
SOAT1 P35610 1/20 0.48
CHEK2 O96017 1/20 0.48
PDE2A O00408 1/20 0.47
TNKS O95271 1/20 0.47
WNT3A P56704 1/20 0.47
TNKS2 Q9H2K2 1/20 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
SCHEMBL15245203 0.92 NPBWR1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19970826 0.87 PIN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19970793 0.85 NPBWR1 (0.56) NPBWR1DGAT1KCNH2SOAT1CHEK2
SCHEMBL7468723 0.84 PPARG (0.58) PTGDR2HPSECHEK2
SCHEMBL3865284 0.84 CHEK2 (0.54) PTGDR2HPSECHEK2
Hydrochloric Acid SCHEMBL7231022 0.83 PPARG (0.57) PTGDR2HPSECHEK2
SCHEMBL15245140 0.79 DGAT1 (0.67) NPBWR1DGAT1KCNH2SOAT1TNKS
SCHEMBL2089777 0.78 NPBWR1 (0.55) NPBWR1DGAT1KCNH2SOAT1CHEK2
SCHEMBL15245202 0.78 DGAT1 (0.59) NPBWR1DGAT1KCNH2RXRARXRB
SCHEMBL15245156 0.77 DGAT1 (0.45) PTGDR2NPBWR1DGAT1KCNH2HPSE

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 PSEN1 2693/4885PSEN2 3073/4885APH1B 4473/4885

“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.