SCHEMBL24258043

SCHEMBL24258043

Clc1ccc(-c2noc(Cc3ccccc3)n2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.59
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2C9 P11712 1/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 5/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 6/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 4/20 0.51
MAPK1 P28482 4/20 0.49
TSHR P16473 3/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 1/20 0.47
CASP3 P42574 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
SCHEMBL24258045 0.89 CYP1A2 (0.66) S1PR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL24258005 0.87 CYP1A2 (0.51) S1PR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL24258025 0.86 CYP1A2 (0.53) S1PR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL24258078 0.86 CYP1A2 (0.50) S1PR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL26004926 0.83 RAB9A (0.61) S1PR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL24258075 0.83 ERCC1 (0.52) S1PR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL24258028 0.82 CASP3 (0.43) S1PR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7598545 0.80 S1PR1 (0.81) S1PR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL24258026 0.76 SMN1; SMN2 (0.43) CYP1A2CYP2C19CYP2D6CYP3A4GAA
SCHEMBL26004917 0.76 CYP1A2 (0.67) CYP1A2CYP2C19CYP2D6CYP3A4GAA

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 S1PR1 4154/4885CYP1A2 1417/4885CYP2C19 1285/4885

“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.