SCHEMBL6081159

SCHEMBL6081159

COC(=O)c1cc(O)c2cc(N3CCCCC3)cc(N)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 3/20 0.44
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NQO2 P16083 3/20 0.38
ALDH1A1 P00352 6/20 0.34
MAPT P10636 6/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
S100B P04271 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LCK P06239 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6080185 0.89 KDM4E (0.40) IP6K1KDM4ENQO2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6080316 0.84 IP6K1 (0.44) IP6K1KDM4ENPC1RAB9ANPSR1
SCHEMBL6080256 0.79 NQO2 (0.45) KDM4ENQO2ALDH1A1MAPTGAA
SCHEMBL6079518 0.79 NQO2 (0.45) KDM4ENQO2ALDH1A1MAPTGAA
SCHEMBL6081104 0.77 NQO2 (0.45) KDM4ENQO2ALDH1A1MAPTGAA
SCHEMBL21044498 0.77 RAB9A (0.43) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL6080021 0.76 NQO2 (0.49) KDM4ENPC1SMN1; SMN2RAB9ANQO2
SCHEMBL6079733 0.76 NQO2 (0.43) KDM4ENQO2ALDH1A1MAPTGAA
SCHEMBL6079506 0.76 KDM4E (0.53) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL6080010 0.74 KDM4E (0.51) KDM4ENPC1SMN1; SMN2RAB9ANPSR1

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 IP6K1 2909/4885KDM4E 1006/4885NPC1 1911/4885

“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.