SCHEMBL26005158

SCHEMBL26005158

O=c1ccc(-c2noc(Cc3cc(Cl)cc(-c4cc(Cl)c(-c5cccc6ccc(Cc7nc(-c8ccncc8)no7)cc56)cc4Cc4nc(-c5ccc(=O)[nH]c5)no4)c3)n2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
MAPK1 P28482 3/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
PTPN1 P18031 2/20 0.33
S1PR3 Q99500 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL26005131 0.77 ERCC1 (0.43) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258021 0.73 ERCC1 (0.48) S1PR1CYP1A2CYP3A4GAACYP2D6
SCHEMBL24258053 0.71 ERCC1 (0.49) S1PR1CYP1A2CYP3A4GAACYP2D6
SCHEMBL24258072 0.69 MAPK1 (0.58) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258039 0.69 ERCC1 (0.45) S1PR1CYP1A2CYP3A4GAACYP2D6
SCHEMBL24258086 0.67 S1PR1 (0.70) S1PR1CYP1A2CYP3A4GAACYP2D6
SCHEMBL26004727 0.65 MAPT (0.47) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258084 0.65 S1PR1 (0.58) S1PR1CYP1A2CYP2C19SMN1; SMN2RAB9A
SCHEMBL24258023 0.65 S1PR1 (0.43) S1PR1ERCC1ERCC4SMN1; SMN2RAB9A
SCHEMBL24258073 0.64 S1PR1 (0.72) S1PR1CYP1A2CYP3A4GAACYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US 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-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 S1PR1 4154/4885CYP1A2 1417/4885CYP3A4 1784/4885

“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.