SCHEMBL31476377

SCHEMBL31476377

CN(c1ccccc1)c1ccc2c(c1)C(C)(C)c1cc(N(C)c3ccccc3)ccc1C21OC(=O)c2ccc(C(=O)NCCOCCOCCCCCCCl)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SNCA P37840 2/20 0.34
▸ NT5E P21589 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ACHE P22303 2/20 0.33
▸ TTR P02766 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ CAMK2B Q13554 1/20 0.32
▸ CAMK2G Q13555 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL18526372 0.83 OPRM1 (0.37) KCNH2HDAC6SMN1; SMN2NT5EOPRM1
SCHEMBL29720341 0.81 KCNH2 (0.34) KCNH2HDAC6SMN1; SMN2NT5EOPRM1
SCHEMBL18526377 0.81 KCNH2 (0.34) KCNH2HDAC6SMN1; SMN2NT5EOPRM1
SCHEMBL31476398 0.79 GAA (0.43) KMT2APOLBTTR
SCHEMBL24942496 0.79 NT5E (0.41) KCNH2HDAC6SMN1; SMN2NT5EKMT2A
SCHEMBL30112575 0.79 NT5E (0.41) KCNH2HDAC6SMN1; SMN2NT5EKMT2A
SCHEMBL13435046 0.78 KMT2A (0.53) KCNH2SMN1; SMN2NT5EKMT2ATTR
SCHEMBL22086953 0.77 KCNH2 (0.36) KCNH2HDAC6KMT2APOLBACHE
SCHEMBL23774662 0.77 KCNH2 (0.34) KCNH2KMT2APOLBTTR
SCHEMBL23291866 0.77 NT5E (0.38) KCNH2HDAC6SMN1; SMN2NT5EKMT2A

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-20250115628-A1 FLUORINATED FLUOROPHORES HOWARD HUGHES MEDICAL INSTITUTE 2025-04-10 — — 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-20250115628-A1 FLUORINATED FLUOROPHORES PFAS, FLI1, ARFGEF1 KCNH2 1629/4885HDAC6 306/4885SMN1; SMN2 4303/4885

“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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