SCHEMBL29367405

SCHEMBL29367405

CCCCCCCc1cc(=O)c2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 1.00
CTSL P07711 4/20 1.00
GHSR Q92847 3/20 0.68
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 2/20 0.52
PARP1 P09874 1/20 0.51
GPR84 Q9NQS5 5/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL21065454 1.00 CTSV (1.00) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL26993704 1.00 CTSV (1.00) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL30472916 1.00 CTSV (1.00) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL25422114 1.00 CTSV (1.00) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL472759 1.00 CTSV (1.00) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL25424145 1.00 CTSV (1.00) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL30913016 1.00 CTSV (1.00) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL29411985 1.00 CTSV (1.00) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL2821600 0.98 CTSV (0.97) CTSVCTSLGHSRHSD17B10KDM4E
SCHEMBL7835926 0.94 CTSV (0.88) CTSVCTSLGHSRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063452-A Benzothiazole or benzoxazole derivative and preparation method and application thereof 山东大学 2024-05-24 CN disclosed
CN-115477610-B Preparation method of C-3 perfluoroalkyl 4-quinolinone compound 河北农业大学 2024-03-15 CN disclosed
US-20230184759-A1 IN VITRO METHOD FOR DETECTION OF INFECTIONS CAUSED BY PSEUDOMONAS AERUGINOSA CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2023-06-15 US disclosed
CN-115968368-A Quinolone compound and preparation method thereof 科学和工业研究理事会是印度注册的机构(1860年第XXI号法案) 2023-04-14 CN disclosed
CN-115477610-A Preparation method of C-3 perfluoroalkyl 4-quinolinone compounds 河北农业大学 2022-12-16 CN disclosed
CN-107667288-B Spectral analysis of microorganisms 英国质谱公司 2022-02-01 CN 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-20230184759-A1 IN VITRO METHOD FOR DETECTION OF INFECTIONS CAUSED BY PSEUDOMONAS AERUGINOSA QSOX1, QARS1, CD47 CTSV 4321/4885CTSL 3138/4885GHSR 1122/4885

“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.