SCHEMBL26505115

SCHEMBL26505115

O=C([O-])c1ccccc1-c1c2ccc(=[N+]3CCCC3)cc-2oc2cc(N3CCCC3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.40
▸ USP2 O75604 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ CFTR P13569 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ GOPC Q9HD26 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ P2RY6 Q15077 1/20 0.32
▸ FTO Q9C0B1 2/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PLEC Q15149 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ASAH1 Q13510 1/20 0.30
▸ TDP2 O95551 1/20 0.30
▸ HSPD1 P10809 1/20 0.30
▸ THRB P10828 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
SCHEMBL20362560 0.96 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL12324196 0.88 ABCB1 (0.44) ABCB1USP2ATMCFTRPAX8
SCHEMBL20281372 0.88 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL13043465 0.86 ABCB1 (0.46) ABCB1USP2ATMCFTRPAX8
SCHEMBL26505092 0.86 ABCB1 (0.30) ABCB1P2RY6
SCHEMBL19846795 0.85 ABCB1 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL19635154 0.83 ABCB1 (0.33) ABCB1USP2ATMCFTRPAX8
SCHEMBL21648602 0.83 AR (0.35) ABCB1KMT2ANPC1RAB9ATDP1
SCHEMBL21165046 0.83 USP2 (0.35) ABCB1USP2ATMCFTRPAX8
SCHEMBL26505087 0.83 ABCB1 (0.30) ABCB1P2RY6

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-11787946-B2 Deuterated fluorophores HOWARD HUGHES MEDICAL INSTITUTE (US) 2023-10-17 — — 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-11787946-B2 Deuterated fluorophores HDHD5, DRD4, ARF4 ABCB1 1409/4885USP2 2609/4885ATM 4367/4885

“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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