SCHEMBL18682147

SCHEMBL18682147

COc1cccc2ccc(CC(C)C)nc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.58
MCHR1 Q99705 7/20 0.54
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NQO2 P16083 1/20 0.41

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
SCHEMBL4387351 0.83 PDE10A (0.55) PDE10AMCHR1HDAC1HDAC2
SCHEMBL4388489 0.83 PDE10A (0.79) PDE10AMCHR1HDAC1HDAC2NQO2
SCHEMBL2840650 0.81 PDE10A (0.63) PDE10AMCHR1HDAC1HDAC2NQO2
SCHEMBL3277356 0.80 PDE10A (0.61) PDE10AMCHR1HDAC1HDAC2
SCHEMBL4389390 0.80 PDE10A (0.70) PDE10AMCHR1HDAC1HDAC2NQO2
SCHEMBL7453345 0.80 PDE10A (0.61) PDE10AMCHR1HDAC1HDAC2NQO2
SCHEMBL18682211 0.79 PDE10A (0.68) PDE10AMCHR1
SCHEMBL18199915 0.78 CCR1 (0.50) PDE10AMCHR1
Hydrochloric Acid SCHEMBL15023608 0.78 PDE10A (0.56) PDE10AMCHR1HDAC1HDAC2NQO2
SCHEMBL15865602 0.77 METAP2 (0.53) PDE10A

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-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-05-18 US disclosed
WO-2017053696-A2 HALOGENATED QUINOLINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-03-30 WO 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 2428/4885MCHR1 1219/4885HDAC1 678/4885

“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.