SCHEMBL15424203

SCHEMBL15424203

CCOC(=O)CCOc1ccc(Br)nc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL16334318 0.93 CYSLTR2 (0.50) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL17288159 0.85 GAA (0.55) TSHRMAPTPOLBKDM4EHSD17B10
SCHEMBL21991849 0.81 MAPT (0.58) LTA4HL3MBTL1TSHRMAPTPOLB
SCHEMBL3951838 0.78 L3MBTL1 (0.66) LTA4HL3MBTL1TSHRPOLBKDM4E
SCHEMBL4590909 0.78 CYP4F2 (0.58) MAPTTDP1
SCHEMBL25385132 0.77 BRD4 (0.51) LTA4HL3MBTL1BRD4TSHRMAPT
SCHEMBL7692040 0.76 LTA4H (0.52) LTA4HL3MBTL1CYSLTR2CYSLTR1TSHR
SCHEMBL21992555 0.76 MAPT (0.60) LTA4HMAPTPOLB
SCHEMBL7692039 0.76 LTA4H (0.52) LTA4HL3MBTL1CYSLTR2CYSLTR1BRD4
SCHEMBL256095 0.76 CHRNB2 (0.45) LTA4HMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 — — US disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 — — 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-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 LTA4H 3049/4885L3MBTL1 1382/4885CYSLTR2 3063/4885

“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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