SCHEMBL6079640

SCHEMBL6079640

CCn1c(=O)c(C(=O)O)nc2c(OCc3ccccc3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
ALDH1A1 P00352 1/20 0.44
RXRA P19793 2/20 0.42
FOLH1 Q04609 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGER1 P34995 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EDNRA P25101 1/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HTR1A P08908 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
SCHEMBL7981641 0.80 MAPT (0.50) MAPK1ALDH1A1SMN1; SMN2PKMHTT
SCHEMBL6080442 0.77 MAPK1 (0.51) MAPK1CASP1CASP7ALDH1A1SMN1; SMN2
SCHEMBL3166559 0.76 GSK3B (0.46) MAPK1MRGPRX4RXRAPTGER1HTT
SCHEMBL7965582 0.73 TNF (0.55) MAPK1MAPTTDP1L3MBTL1BRD4
SCHEMBL6586376 0.72 SRD5A2 (0.52) MRGPRX4FOLH1SRD5A1SRD5A2
SCHEMBL7976919 0.72 KDM4E (0.45) MAPK1MRGPRX4ALDH1A1RXRASMN1; SMN2
SCHEMBL16486566 0.72 TLR8 (0.70)
SCHEMBL6080351 0.71 MAPT (0.49) MAPK1MRGPRX4RXRAFOLH1SMN1; SMN2
SCHEMBL6592161 0.71 MRGPRX4 (0.46) MRGPRX4ALDH1A1FOLH1SMN1; SMN2PTGER1
SCHEMBL6591062 0.71 MRGPRX4 (0.46) MRGPRX4ALDH1A1RXRAFOLH1SMN1; SMN2

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 MAPK1 927/4885CASP1 1895/4885CASP7 853/4885

“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.