SCHEMBL18856950

SCHEMBL18856950

CCCCCn1ccc2cc(Br)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ HTR7 P34969 5/20 0.53
▸ PLG P00747 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ CDK4 P11802 3/20 0.47
▸ CCND1 P24385 3/20 0.47
▸ SLC6A2 P23975 1/20 0.43
▸ NTSR1 P30989 1/20 0.42
▸ CNR2 P34972 3/20 0.42
▸ EGFR P00533 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL22930065 0.98 HTR2A (0.54) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL15550237 0.98 HTR2A (0.54) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL28550149 0.98 HTR2A (0.54) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL4939152 0.95 HTR2A (0.56) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL14061899 0.88 HTR2A (0.59) HTR2AHTR2CHTR7PLGPLAU
Dimethylamine SCHEMBL18941222 0.84 HTR2A (0.55) HTR2AHTR2CHTR7SLC6A2NTSR1
SCHEMBL28993624 0.84 HTR2A (0.51) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL30388499 0.84 HTR2A (0.51) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL15423256 0.83 HTR2A (0.58) HTR2AHTR2CHTR7PLGPLAU
SCHEMBL18307589 0.83 CDK4 (0.52) HTR2AHTR2CPLGPLAUCDK4

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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 — — US disclosed
WO-2017082924-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2017-05-18 — — 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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK HTR2A 4587/4885HTR2C 4526/4885HTR7 4080/4885

“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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