SCHEMBL17218180

SCHEMBL17218180

Cc1cccc(/[C]=N\OCc2cccc(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.42
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ MAOB P27338 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ SCN8A Q9UQD0 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL17218185 1.00 GRM5 (0.42) GRM5MRGPRX4MAOBIDO1HTR6
SCHEMBL17218824 0.94 IDO1 (0.44) GRM5MRGPRX4MAOBIDO1HTR6
SCHEMBL17218823 0.94 IDO1 (0.44) GRM5MRGPRX4MAOBIDO1HTR6
SCHEMBL17215460 0.90 MRGPRX4 (0.47) GRM5MRGPRX4MAOBHTR6FFAR1
SCHEMBL17215457 0.90 MRGPRX4 (0.47) GRM5MRGPRX4MAOBHTR6FFAR1
SCHEMBL17216975 0.90 IDO1 (0.50) GRM5MAOBIDO1FFAR1
SCHEMBL17216976 0.90 IDO1 (0.50) GRM5MAOBIDO1FFAR1
SCHEMBL17215972 0.89 GRM5 (0.45) GRM5MRGPRX4MAOBHTR6IDH1
SCHEMBL17217372 0.89 NPC1 (0.46) MAOBIDO1FFAR1MAPTALDH1A1
SCHEMBL17215970 0.89 GRM5 (0.45) GRM5MRGPRX4MAOBHTR6IDH1

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 GRM5 1017/4885MRGPRX4 1822/4885MAOB 3611/4885

“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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