SCHEMBL17216293

SCHEMBL17216293

Clc1ccc(CON=[C]c2cccc(Br)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 9/20 0.39
▸ MAOB P27338 6/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ AGXT P21549 2/20 0.35

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
SCHEMBL17216290 1.00 CCR5 (0.39) CCR5MAOBL3MBTL1THRBMEN1
SCHEMBL17218184 0.89 IDO1 (0.45) CCR5MAOBMAPTIDO1AGXT
SCHEMBL17218187 0.89 IDO1 (0.45) CCR5MAOBMAPTIDO1AGXT
SCHEMBL17217972 0.87 MAOB (0.49) MAOBIDO1AGXT
SCHEMBL17217973 0.87 MAOB (0.49) MAOBIDO1AGXT
SCHEMBL17218163 0.87 MAOB (0.42) MAOBL3MBTL1MEN1MAPTKMT2A
SCHEMBL17218165 0.87 MAOB (0.42) MAOBL3MBTL1MEN1MAPTKMT2A
SCHEMBL17217382 0.86 MAOB (0.39) MAOBL3MBTL1IDO1AGXT
SCHEMBL17217381 0.86 MAOB (0.39) MAOBL3MBTL1IDO1AGXT
SCHEMBL17218107 0.86 MAOB (0.52) CCR5MAOBMAPTIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 — — EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 — — EP 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-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 CCR5 1366/4885MAOB 3611/4885L3MBTL1 6/4885

“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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