SCHEMBL24258052

SCHEMBL24258052

CC(c1ccccc1)c1nc(-c2ccc(=O)[nH]c2)no1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACACB O00763 5/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL24258079 0.85 S1PR1 (0.63) S1PR1ALDH1A1NPSR1ACACBPPARD
SCHEMBL24258056 0.77 HCAR2 (0.41) S1PR1ALDH1A1PPARDPPARACPT2
SCHEMBL312951 0.72 DAO (0.42) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL24258084 0.71 S1PR1 (0.58) S1PR1S1PR3ALDH1A1TSHRMAPK1
SCHEMBL15505020 0.69 S1PR1 (0.48) S1PR1S1PR3NPSR1ACACBSMN1; SMN2
SCHEMBL1423052 0.68 CHRNB2 (0.66) S1PR1ALDH1A1NPSR1PPARATSHR
SCHEMBL20622539 0.67 HDAC4 (0.52)
SCHEMBL6978731 0.66 HTT (0.62) S1PR1ALDH1A1NPSR1TSHRMAPK1
SCHEMBL31261562 0.66 MEN1 (0.45) S1PR1S1PR3ALDH1A1NPSR1SMN1; SMN2
SCHEMBL26004671 0.66 S1PR1 (0.38) S1PR1S1PR3ALDH1A1NPSR1ACACB

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 4154/4885S1PR3 4275/4885ALDH1A1 494/4885

“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.