SCHEMBL6875742

SCHEMBL6875742

OCCCC#Cc1ccc(-c2ncccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
ADRB2 P07550 1/20 0.40
ASIC3 Q9UHC3 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6876158 0.90 ASIC3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6227667 0.83 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6852057 0.80 ADRB2 (0.42) ADRB2ASIC3CLK4AOC3CHRNB2
SCHEMBL3311223 0.80 CYP1A2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18453785 0.77 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6848088 0.76 ADRB2 (0.44) ADRB2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8428766 0.75 MAPK14 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL487310 0.75 CYP1A2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18452361 0.74 KDM4E (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9671501 0.73 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 GABRP 3652/4885GABRD 2445/4885GABRA1 3846/4885

“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.