SCHEMBL18391969

SCHEMBL18391969

OCCOCCNc1nc(Nc2cccc(O)c2)nc(Nc2ccc(O)c3ccccc23)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 5/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ MCL1 Q07820 1/20 0.43

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
SCHEMBL25830630 0.90 KCNH3 (0.46) KCNH3TAAR1
SCHEMBL18385065 0.90 KCNH3 (0.46) KCNH3TAAR1
SCHEMBL17130325 0.84 IDO1 (0.53) KCNH3TAAR1MEN1KMT2ARECQL
SCHEMBL18385063 0.83 EGFR (0.43) —
SCHEMBL17130308 0.83 EGFR (0.43) —
SCHEMBL13223236 0.78 CDC25B (0.48) TAAR1MEN1KMT2A
SCHEMBL18391971 0.78 CDC25B (0.48) TAAR1MEN1KMT2A
SCHEMBL12387589 0.78 SYK (0.48) TAAR1MEN1KMT2A
SCHEMBL17130323 0.78 CDC25B (0.45) TAAR1MEN1KMT2ARECQLMCL1
SCHEMBL10358543 0.75 RECQL (0.69) KCNH3TAAR1RECQLMCL1

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-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2017-01-19 — — 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-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS ABCG2, ADAM8, TIE1 KCNH3 4796/4885TAAR1 2020/4885MEN1 3378/4885

“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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