SCHEMBL17217303

SCHEMBL17217303

N#Cc1cccc(CON=[C]c2cccc(Br)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ MAOB P27338 4/20 0.39
▸ GLA P06280 1/20 0.37
▸ MEP1A Q16819 1/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ MAOA P21397 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ ALKBH1 Q13686 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 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
SCHEMBL17217300 1.00 CCR5 (0.45) CCR5SLC6A4MRGPRX4IDO1AGXT
SCHEMBL17215460 0.90 MRGPRX4 (0.47) CCR5SLC6A4MRGPRX4FFAR1FFAR4
SCHEMBL17215457 0.90 MRGPRX4 (0.47) CCR5SLC6A4MRGPRX4FFAR1FFAR4
SCHEMBL17218858 0.89 CCR5 (0.45) CCR5SLC6A4MRGPRX4FFAR1FFAR4
SCHEMBL17218581 0.89 NPC1 (0.45) CCR5SLC6A4MAOB
SCHEMBL17218856 0.89 CCR5 (0.45) CCR5SLC6A4MRGPRX4FFAR1FFAR4
SCHEMBL17218580 0.89 NPC1 (0.45) CCR5SLC6A4MAOB
SCHEMBL17217180 0.85 FFAR1 (0.46) SLC6A4MRGPRX4FFAR1FFAR4MAOB
SCHEMBL17217178 0.85 FFAR1 (0.46) SLC6A4MRGPRX4FFAR1FFAR4MAOB
SCHEMBL17217496 0.85 MRGPRX4 (0.46) CCR5MRGPRX4FFAR1FFAR4MAOB

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 1366/4885SLC6A4 4321/4885MRGPRX4 1822/4885

“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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