SCHEMBL6080431

SCHEMBL6080431

Cc1c(C(=O)O)nc2c(N)cc(-c3ccccc3)cc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.40
PIN1 Q13526 1/20 0.38
DUSP3 P51452 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARA Q07869 1/20 0.36
PTPN1 P18031 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6081306 0.82 PDE10A (0.45) DHODHPIN1KDM4EALDH1A1HPGD
SCHEMBL6081107 0.82 KDM4E (0.41) DHODHKDM4EMEN1ALDH1A1LMNA
SCHEMBL6079524 0.82 TDP1 (0.44) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL6080260 0.82 KDM4E (0.34) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL6080240 0.81 MAPT (0.40) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL6080252 0.81 P2RX3 (0.45) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6079550 0.81 PIN1 (0.41) DHODHPIN1KDM4EALDH1A1LMNA
SCHEMBL6079333 0.80 CRHBP (0.52) DHODHDUSP3HTTTSHR
SCHEMBL6080024 0.80 CYP3A4 (0.38) DHODHPIN1KDM4EMEN1ALDH1A1
SCHEMBL6079736 0.80 DHODH (0.38) DHODHKDM4EMEN1ALDH1A1GAA

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 DHODH 188/4885PIN1 3446/4885DUSP3 3566/4885

“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.