SCHEMBL6400518

SCHEMBL6400518

O=C(Cn1ccnc1)c1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPG P10696 2/20 0.62
▸ ALPI P09923 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ PLAA Q9Y263 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CYP19A1 P11511 6/20 0.59
▸ CYP11B1 P15538 3/20 0.55
▸ CYP11B2 P19099 3/20 0.55
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA3 P07451 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA13 Q8N1Q1 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ CA5B Q9Y2D0 1/20 0.52

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
SCHEMBL28549268 0.84 ALPG (0.63) ALPGALPITDP1PLAAL3MBTL1
SCHEMBL29669994 0.84 ALPG (0.63) ALPGALPITDP1PLAAL3MBTL1
SCHEMBL11188512 0.83 ALPG (0.63) ALPGALPITDP1PLAAL3MBTL1
SCHEMBL1718560 0.83 ALPG (0.62) ALPGALPITDP1PLAAL3MBTL1
SCHEMBL5523502 0.83 ALPG (0.62) ALPGALPITDP1PLAAL3MBTL1
SCHEMBL11236967 0.82 ALPG (0.58) ALPGALPITDP1PLAAL3MBTL1
SCHEMBL7241260 0.82 CYP19A1 (0.72) ALPGALPITDP1PLAAL3MBTL1
Hydrochloric Acid SCHEMBL409010 0.82 ALPG (0.63) ALPGALPITDP1PLAAL3MBTL1
SCHEMBL11362294 0.82 CYP19A1 (0.65) ALPGALPITDP1PLAAL3MBTL1
SCHEMBL1509735 0.82 CYP19A1 (0.71) ALPGALPITDP1PLAAL3MBTL1

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-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 — — 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-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 ALPG 4737/4885ALPI 3922/4885TDP1 4618/4885

“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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