SCHEMBL6079882

SCHEMBL6079882

CCCCC#Cc1cccc2c(OCc3ccccc3)cc(C(=O)OCc3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MTNR1A P48039 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.35

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
SCHEMBL6601912 0.92 CTSL (0.39) CTSLCTSBCYP3A4TDP1KDM4E
SCHEMBL6080213 0.89 CTSL (0.44) CTSLCTSBL3MBTL1CYP3A4TDP1
SCHEMBL6080269 0.81 CTSL (0.48) CTSLCTSBCYP3A4TDP1TSHR
SCHEMBL6596521 0.81 XDH (0.40) CTSLCTSBCYP3A4TDP1KDM4E
SCHEMBL6596257 0.80 CTSL (0.43) CTSLCTSBMRGPRX4HDAC3HDAC4
SCHEMBL6079765 0.78 NOTUM (0.41) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL6080347 0.77 MRGPRX4 (0.42) L3MBTL1TDP1ALDH1A1KDM4EMAPT
SCHEMBL6080025 0.77 MRGPRX4 (0.42) L3MBTL1TDP1TSHRALDH1A1LMNA
SCHEMBL6081081 0.76 PTGER1 (0.45) ALDH1A1KDM4ECYP2C9SMN1; SMN2MRGPRX4
SCHEMBL6594101 0.75 MCL1 (0.43) MRGPRX4

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL CTSL 3040/4885CTSB 1336/4885L3MBTL1 4069/4885

“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.