SCHEMBL6079979

SCHEMBL6079979

O=C(O)c1cc(O)c2cc(-c3ccc(Cl)cc3)cc(O)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.50
KMO O15229 1/20 0.42
DHODH Q02127 5/20 0.41
CTRC Q99895 2/20 0.41
ALOX5 P09917 2/20 0.41
GPR35 Q9HC97 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C8 P10632 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C19 P33261 1/20 0.40
IGFBP3 P17936 1/20 0.40
RPA1 P27694 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGES O14684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP7 P55210 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
SCHEMBL6080200 0.88 GPR35 (0.42) MCL1KMOGPR35IGFBP3HIF1A
SCHEMBL6080080 0.87 MCL1 (0.46) MCL1KMODHODHALOX5ALDH1A1
SCHEMBL6080194 0.86 KMO (0.51) KMODHODHGPR35IGFBP3RPA1
SCHEMBL6080570 0.86 SCN9A (0.43) MCL1DHODHIGFBP3
SCHEMBL6079784 0.85 KMO (0.46) KMOALOX5GPR35RXRARXRB
SCHEMBL6079342 0.84 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GABRA2GABRB2
SCHEMBL6079891 0.82 MCL1 (0.53) MCL1GPR35SMN1; SMN2ALDH1A1HPGD
SCHEMBL6080533 0.80 IGFBP3 (0.43) DHODHGPR35CYP2C9CYP3A4CYP2C8
SCHEMBL6594732 0.79 MCL1 (0.49) MCL1
SCHEMBL21044577 0.78 MCL1 (0.69) MCL1KMOCTRCALOX5CYP2C9

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 6 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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO 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 MCL1 998/4885KMO 91/4885DHODH 188/4885

“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.