SCHEMBL21708255

SCHEMBL21708255

CC(C)(C)Oc1ccc([N+](=O)[O-])c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP19A1 P11511 4/20 0.40
PTGES O14684 1/20 0.40
HPRT1 P00492 1/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MEN1 O00255 1/20 0.39
PSMD14 O00487 1/20 0.39
PRKACA P17612 1/20 0.39
CASP6 P55212 1/20 0.39
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL9312797 0.83 ALDH1A1 (0.56) ALDH1A1TDP1KMT2ANPC1RAB9A
SCHEMBL7773844 0.82 ALDH1A1 (0.59) ALDH1A1TDP1KMT2ANPC1RAB9A
SCHEMBL21708228 0.79 ALDH1A1 (0.51) ALDH1A1TDP1CRHBPCRHR2CYP19A1
SCHEMBL21708269 0.79 MAPT (0.60) ALDH1A1TDP1CYP19A1PTGESKMT2A
SCHEMBL15677780 0.78 TDP1 (0.53) ALDH1A1TDP1CRHBPCRHR2CYP19A1
SCHEMBL26343222 0.75 DTYMK (0.53) ALDH1A1TDP1KMT2AMEN1CASP6
SCHEMBL2960948 0.74 ALDH1A1 (0.61) ALDH1A1TDP1CRHBPCRHR2CYP19A1
SCHEMBL6743813 0.74 KIF11 (0.42) ALDH1A1KIF11HPGDSMN1; SMN2
SCHEMBL12164572 0.74 KIF11 (0.42) KMT2AMEN1KIF11MAPK1SMN1; SMN2
SCHEMBL17742439 0.74 TDP1 (0.66) ALDH1A1TDP1CRHBPCRHR2CYP19A1

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-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-04-15 US disclosed
EP-3611161-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY National University Corporation Hokkaido University (JP) 2020-02-19 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-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY FLNA, FLNB, BRI3BP ALDH1A1 2624/4885TDP1 4588/4885CRHBP 4310/4885

“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.