SCHEMBL23366109

SCHEMBL23366109

COc1c(C)ccc2ccc(CC(C)C)nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.36
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ PDE10A Q9Y233 4/20 0.33
▸ CCR1 P32246 2/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18199915 0.78 CCR1 (0.50) NOS3NOS1NOS2PDE10ACCR1
SCHEMBL18682147 0.74 PDE10A (0.58) PDE10A
SCHEMBL13458731 0.73 CCR1 (0.56) CCR1
SCHEMBL19413635 0.71 NOS3 (0.41) S1PR1NOS3NOS1NOS2KDM4E
SCHEMBL6970064 0.70 TUBB4A (0.34) CCR1KDM4E
SCHEMBL6970068 0.70 MCHR1 (0.37) S1PR1CCR1KDM4E
SCHEMBL15865602 0.67 METAP2 (0.53) PDE10AKDM4EHPGDHSD17B10
SCHEMBL14768504 0.66 LMNA (0.59) PDE10ACCR1KDM4EHPGD
SCHEMBL13037327 0.65 KDM4E (0.46) CCR1KDM4E
SCHEMBL9210740 0.65 PDE3A (0.41) PDE10ACCR1KDM4EHPGDHSD17B10

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 S1PR1 4787/4885NOS3 310/4885NOS1 200/4885

“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.

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