SCHEMBL23366133

SCHEMBL23366133

COc1cccc2ccc(CCc3ccc(Br)cc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.63
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MCHR1 Q99705 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
DHFR P00374 3/20 0.46
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CXCR3 P49682 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 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
SCHEMBL4388489 0.87 PDE10A (0.79) PDE10AMCHR1HDAC1HDAC2DHFR
SCHEMBL4389390 0.81 PDE10A (0.70) PDE10AMEN1KMT2AMCHR1HDAC1
SCHEMBL18682211 0.79 PDE10A (0.68) PDE10AMCHR1
SCHEMBL7509842 0.77 PDE10A (1.00) PDE10AMEN1KMT2AMCHR1
SCHEMBL2840650 0.76 PDE10A (0.63) PDE10AMCHR1HDAC1HDAC2
SCHEMBL18668570 0.75 PDE10A (0.63) PDE10AMCHR1
SCHEMBL5928050 0.74 PDE10A (0.62) PDE10AMCHR1HDAC1HDAC2DHFR
SCHEMBL5928336 0.74 PDE10A (0.62) PDE10AKMT2AMCHR1HDAC1HDAC2
SCHEMBL16151253 0.74 PDE10A (0.62) PDE10AMCHR1
SCHEMBL7453345 0.74 PDE10A (0.61) PDE10AMCHR1HDAC1HDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-05-18 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-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents NDUFS5, NDUFS7, NDUFS3 PDE10A 2428/4885MEN1 1670/4885KMT2A 1438/4885

“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.