SCHEMBL17040252

SCHEMBL17040252

COc1ccc2c(c1)sc1c3ccc([N+](=O)[O-])cc3sc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
APP P05067 2/20 0.49
MAPT P10636 4/20 0.46
HTT P42858 4/20 0.46
MCL1 Q07820 1/20 0.46
SCD O00767 2/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL12055674 0.86 CRHBP (0.50) APPMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL17037126 0.82 CRHBP (0.47) MAPTHTTALDH1A1SMN1; SMN2USP2
SCHEMBL10031374 0.82 HTT (0.51) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL17037090 0.80 SMN1; SMN2 (0.49) MAPTHTTALDH1A1SMN1; SMN2USP2
SCHEMBL17037091 0.78 MAPT (0.49) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL13649835 0.78 ALDH1A1 (0.50) MAPTHTTALDH1A1SMN1; SMN2USP2
SCHEMBL18252673 0.77 HTT (0.50) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL749155 0.75 CRHBP (0.53) APPMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL17040019 0.74 ALDH1A1 (0.57) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL29164288 0.74 SNCA (0.56) SNCACTSVCTSLAPPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 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 (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-20150239901-A1 Method For Producing Aromatic Compound TYR, XDH, CYP1A1 SNCA 218/4885CTSV 3625/4885CTSL 4530/4885

“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.