SCHEMBL17219063

SCHEMBL17219063

CCc1cccc(CON=[C]c2ccc(Br)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ AGXT P21549 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAOB P27338 6/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GRK2 P25098 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ SIGMAR1 Q99720 5/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL17219061 1.00 MRGPRX4 (0.36) MRGPRX4IDO1AGXTNPC1RAB9A
SCHEMBL17218372 0.90 CYP2A6 (0.38) IDO1AGXTNPC1RAB9ASMN1; SMN2
SCHEMBL17218370 0.90 CYP2A6 (0.38) IDO1AGXTNPC1RAB9ASMN1; SMN2
SCHEMBL17219393 0.87 IDO1 (0.41) IDO1AGXTMAOBSIGMAR1
SCHEMBL17219390 0.87 IDO1 (0.41) IDO1AGXTMAOBSIGMAR1
SCHEMBL17216011 0.87 IDO1 (0.36) IDO1SMN1; SMN2MAOB
SCHEMBL17216012 0.87 IDO1 (0.36) IDO1SMN1; SMN2MAOB
SCHEMBL17216535 0.87 TP53 (0.39) MRGPRX4AGXTRAB9ASMN1; SMN2TP53
SCHEMBL17216533 0.87 TP53 (0.39) MRGPRX4AGXTRAB9ASMN1; SMN2TP53
SCHEMBL17218056 0.86 CYP2A6 (0.46) MRGPRX4NPC1RAB9ASMN1; SMN2MAOB

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 MRGPRX4 1822/4885IDO1 2882/4885AGXT 1423/4885

“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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