SCHEMBL6080308

SCHEMBL6080308

COC(=O)c1cc(OCc2ccccc2)c2cccc(N)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NOTUM Q6P988 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
APP P05067 1/20 0.42
PPIA P62937 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL6080347 0.90 MRGPRX4 (0.42) ALDH1A1MRGPRX4MAPTKDM4EADORA3
SCHEMBL6596767 0.88 MRGPRX4 (0.47) MRGPRX4MAPTADORA3ADORA2AADORA1
SCHEMBL6079903 0.86 ALDH1A1 (0.44) ALDH1A1USP2TSHRHSD17B10NOTUM
SCHEMBL6080646 0.84 NOTUM (0.42) ALDH1A1USP2TSHRHSD17B10NOTUM
SCHEMBL31389266 0.83 ALOX15 (0.55) ALDH1A1USP2TSHRHSD17B10NOTUM
SCHEMBL6081085 0.82 NOTUM (0.41) ALDH1A1USP2TSHRHSD17B10NOTUM
SCHEMBL6079313 0.82 NOTUM (0.41) ALDH1A1USP2TSHRHSD17B10NOTUM
SCHEMBL6079765 0.82 NOTUM (0.41) ALDH1A1USP2TSHRHSD17B10NOTUM
SCHEMBL6079273 0.81 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10LMNAHPGD
SCHEMBL6079823 0.81 LMNA (0.50) ALDH1A1USP2TSHRHSD17B10NOTUM

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 1 patent. 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 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 ALDH1A1 2726/4885USP2 3376/4885TSHR 4728/4885

“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.