SCHEMBL21316419

SCHEMBL21316419

BNC(=O)c1cc2cc(F)c(NC)c(F)c2oc1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAOA P21397 8/20 0.41
▸ HSD17B10 Q99714 3/20 0.38
▸ GPR35 Q9HC97 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ F12 P00748 1/20 0.36

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
SCHEMBL21316424 0.85 GPR35 (0.54) MAOBMAOAHSD17B10GPR35ALDH1A1
SCHEMBL21316394 0.83 GPR35 (0.44) MAOBNPC1RAB9AMAOAGPR35
SCHEMBL21316426 0.76 MEN1 (0.34) MAOBMAOAHSD17B10GPR35ALDH1A1
SCHEMBL21316427 0.72 GPR35 (0.50) MAOBMAOAHSD17B10GPR35ALDH1A1
SCHEMBL23155088 0.67 MAOB (0.54) MAOBMAOAGPR35ALDH1A1KDM4E
SCHEMBL21316428 0.67 GPR35 (0.58) MAOBMAOAHSD17B10GPR35ALDH1A1
SCHEMBL25167999 0.67 AKR1B10 (0.43) MAOBMAOAHSD17B10ALDH1A1KDM4E
SCHEMBL30422928 0.67 AKR1B10 (0.43) MAOBMAOAHSD17B10ALDH1A1KDM4E
SCHEMBL25168020 0.67 AKR1B10 (0.43) MAOBMAOAHSD17B10ALDH1A1KDM4E
SCHEMBL30423318 0.67 AKR1B10 (0.43) MAOBMAOAHSD17B10ALDH1A1KDM4E

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 MAOB 1947/4885NPC1 74/4885RAB9A 3941/4885

“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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