Benzene

Benzene

SCHEMBL6080245

CCc1c(C(=O)O)nc2c(N)ccc(C)c2c1O.c1ccccc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
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
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
RXRA P19793 1/20 0.32
NR4A2 P43354 1/20 0.32

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
SCHEMBL6079745 0.93 DUSP3 (0.38) KDM4EPOLBRXRANR4A2PDE4B
SCHEMBL6079834 0.85 P2RX3 (0.44) P2RX3RNASEH1MAPTALDH1A1
SCHEMBL6080544 0.82 KDM4E (0.34) KDM4EPOLBGABRPGABRDGABRA1
SCHEMBL6080476 0.80 DHODH (0.34) KDM4EGABRPGABRDGABRA1GABRB1
Benzene SCHEMBL6080781 0.78 PARP1 (0.38) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL6079395 0.78 PARP1 (0.38) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL6079660 0.73 DHODH (0.37) KDM4ETDP1DHODHMMP2
SCHEMBL6080559 0.72 MCL1 (0.38) GABRG2GABRB3GABRA2DHODHALDH1A1
SCHEMBL6081015 0.71 KDM4E (0.42) KDM4EPDE4BP2RX3RNASEH1MAPT
SCHEMBL6081216 0.71 IKBKB (0.36) KDM4E

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 1006/4885POLB 2489/4885GABRP 4434/4885

“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.