SCHEMBL6080544

SCHEMBL6080544

Cc1c(C(=O)O)nc2c(N)ccc(C)c2c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
DHODH Q02127 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL6080476 0.85 DHODH (0.34) KDM4EMAPTRAB9ATDP1DHODH
SCHEMBL6080473 0.82 PIN1 (0.38) KDM4EMAPTRAB9ATDP1CYP1A2
Benzene SCHEMBL6080245 0.82 KDM4E (0.37) KDM4EMAPTRAB9ATDP1DHODH
SCHEMBL6081049 0.79 MAPT (0.42) KDM4EMAPTRAB9ATDP1FNTA
SCHEMBL6080736 0.79 PIK3CD (0.31)
SCHEMBL6079750 0.78 P2RX3 (0.44) KDM4EALDH1A1MEN1KMT2A
SCHEMBL6079511 0.78 GAA (0.44) KDM4EMAPTRAB9ATDP1ALDH1A1
SCHEMBL6079834 0.78 P2RX3 (0.44) MAPTALDH1A1MEN1KMT2A
SCHEMBL6079984 0.76 HDAC3 (0.36) KDM4E
SCHEMBL6079745 0.76 DUSP3 (0.38) KDM4EDHODHPOLBPDE4BPDE4D

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 KDM4E 1006/4885MAPT 1575/4885RAB9A 431/4885

“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.