SCHEMBL21316425

SCHEMBL21316425

Nc1c(F)cc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR35 Q9HC97 7/20 0.35
▸ MAOB P27338 4/20 0.34
▸ MAOA P21397 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ SLC16A3 O15427 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL13494176 0.87 GPR35 (0.39) MEN1KMT2AGPR35MAOBMAOA
SCHEMBL21316426 0.85 MEN1 (0.34) MEN1KMT2AGPR35MAOBMAOA
SCHEMBL12038326 0.84 MEN1 (0.33) MEN1KMT2AGPR35MAOBMAOA
SCHEMBL12038332 0.81 MAOB (0.34) MEN1KMT2AGPR35MAOBMAOA
SCHEMBL31114132 0.81 MAOA (0.40) MEN1KMT2AGPR35MAOBMAOA
SCHEMBL12038299 0.80 MEN1 (0.39) MEN1KMT2AGPR35MAOBMAOA
SCHEMBL21316428 0.77 GPR35 (0.58) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL31114267 0.76 GPR35 (0.44) MEN1KMT2AGPR35MAOBMAOA
SCHEMBL12038291 0.76 MEN1 (0.37) MEN1KMT2AGPR35MAOBMAOA
SCHEMBL12038365 0.76 MEN1 (0.31) MEN1KMT2AMAOBMAOAMAPT

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-10399964-B2 Coumarin-linked taxanes for detection and circumvention of cellular efflux THE UNIVERSITY OF KANSAS (US) 2019-09-03 — — 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-10399964-B2 Coumarin-linked taxanes for detection and circumvention of cellular efflux SLC6A1, ABCB11, SLC6A11 MEN1 1468/4885KMT2A 4818/4885GPR35 1637/4885

“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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