SCHEMBL19970826

SCHEMBL19970826

O=C(O)Cc1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
PARP1 P09874 1/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPBWR1 P48145 2/20 0.49
GRK6 P43250 1/20 0.48
HPSE Q9Y251 2/20 0.47
DGAT1 O75907 1/20 0.47
KCNH2 Q12809 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PDPK1 O15530 1/20 0.46
PPARG P37231 1/20 0.45
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL19970831 0.87 PSEN1 (0.55) PARP1PTGDR2CYP2C9NPBWR1HPSE
SCHEMBL19970875 0.86 NPBWR1 (0.50) PIN1PARP1CYP1A2CYP3A4CYP2C9
SCHEMBL7468723 0.84 PPARG (0.58) PTGDR2HPSEPPARGPIM1PIM3
SCHEMBL15245203 0.84 NPBWR1 (0.57) PTGDR2NPBWR1DGAT1KCNH2RXRA
Hydrochloric Acid SCHEMBL7231022 0.83 PPARG (0.57) PTGDR2HPSEPPARGPIM1PIM3
SCHEMBL19970879 0.78 KDM4E (0.58) PPARGKDM4ENPC1ALDH1A1HPGD
SCHEMBL3198870 0.77 MEN1 (0.57) PIN1PARP1CYP1A2CYP3A4CYP2C9
SCHEMBL22955338 0.77 CYP3A4 (0.55) PIN1PARP1CYP1A2CYP3A4CYP2C9
SCHEMBL19970876 0.76 NPBWR1 (0.60) PIN1PARP1PTGDR2CYP1A2CYP3A4
SCHEMBL21705326 0.76 NPBWR1 (0.67) PARP1CYP1A2CYP3A4CYP2C9CYP2C19

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 PIN1 1946/4885PARP1 447/4885PTGDR2 4444/4885

“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.