SCHEMBL24258045

SCHEMBL24258045

Clc1ccc(Cc2nc(-c3ccc(Cl)nc3)no2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 1/20 0.66
GAA P10253 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
MAPK1 P28482 4/20 0.62
TSHR P16473 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALOX15 P16050 1/20 0.62
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MEN1 O00255 2/20 0.60
LMNA P02545 1/20 0.60
ERCC1 P07992 1/20 0.59
ERCC4 Q92889 1/20 0.59
TDP1 Q9NUW8 3/20 0.57
RAB9A P51151 2/20 0.57
NOTUM Q6P988 2/20 0.52
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL24258025 0.89 CYP1A2 (0.53) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258043 0.89 S1PR1 (0.59) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL26004917 0.86 CYP1A2 (0.67) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258075 0.85 ERCC1 (0.52) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258005 0.84 CYP1A2 (0.51) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258078 0.83 CYP1A2 (0.50) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258030 0.78 MAPT (0.48) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL12171149 0.77 TSHR (0.64) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL24258028 0.76 CASP3 (0.43) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL26005529 0.75 L3MBTL1 (0.70) CYP1A2CYP3A4GAACYP2D6CYP2C9

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 3 patents. 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
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
WO-2022035805-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 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-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 CYP1A2 1417/4885CYP3A4 1784/4885GAA 215/4885

“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.