SCHEMBL5042737

SCHEMBL5042737

Cc1cc(=O)c2cc(F)c(OCc3ccccc3)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.58
CTSL P07711 4/20 0.58
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 2/20 0.41
SRD5A1 P18405 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3012026 0.79 SRD5A2 (0.49) CTSVCTSLCYP1A2ALDH1A1KDM4E
SCHEMBL18525591 0.78 ALDH1A1 (0.50) CTSVCTSLCYP1A2GAAALDH1A1
SCHEMBL340615 0.74 CTSV (0.65) CTSVCTSLALDH1A1KDM4EMEN1
SCHEMBL1227732 0.74 KDR (0.55) CTSVCTSLMAPTSRD5A2MAPK1
SCHEMBL3427347 0.73 CTSV (0.50) CTSVCTSLALDH1A1LMNAIDO1
SCHEMBL26604942 0.73 ACHE (0.52) CTSVCTSLSRD5A2SRD5A1L3MBTL1
SCHEMBL9736136 0.73 SRD5A2 (0.60) CTSVCTSLCYP1A2GAAALDH1A1
SCHEMBL31530782 0.72 SRD5A2 (0.64) CTSVCTSLCYP1A2GAAMEN1
SCHEMBL1013895 0.72 SRD5A2 (0.64) CTSVCTSLCYP1A2GAAMEN1
SCHEMBL341241 0.71 CTSV (0.62) CTSVCTSLCYP1A2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CTSV 1003/4885CTSL 932/4885CYP1A2 3050/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CTSV 1003/4885CTSL 932/4885CYP1A2 3050/4885

“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.