SCHEMBL17217178

SCHEMBL17217178

N#Cc1cccc(CO/N=[C]\c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ MRGPRX4 Q96LA9 2/20 0.46
▸ MAOB P27338 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ MRGPRX1 Q96LB2 1/20 0.42
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GABRA1 P14867 1/20 0.40

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
SCHEMBL17217180 1.00 FFAR1 (0.46) FFAR1FFAR4MRGPRX4MAOBKDM1A
SCHEMBL17217497 0.94 MRGPRX4 (0.46) FFAR1FFAR4MRGPRX4MAOBKDM1A
SCHEMBL17217496 0.94 MRGPRX4 (0.46) FFAR1FFAR4MRGPRX4MAOBKDM1A
SCHEMBL17215460 0.92 MRGPRX4 (0.47) FFAR1FFAR4MRGPRX4MAOBKDM1A
SCHEMBL17215457 0.92 MRGPRX4 (0.47) FFAR1FFAR4MRGPRX4MAOBKDM1A
SCHEMBL17217417 0.91 MAOB (0.46) FFAR1FFAR4MRGPRX4MAOBKDM1A
SCHEMBL17217419 0.91 MAOB (0.46) FFAR1FFAR4MRGPRX4MAOBKDM1A
SCHEMBL17219654 0.88 MRGPRX4 (0.42) FFAR1FFAR4MRGPRX4MAOBMAOA
SCHEMBL17218965 0.88 MRGPRX4 (0.54) FFAR1FFAR4MRGPRX4MAOBMAOA
SCHEMBL17219652 0.88 MRGPRX4 (0.42) FFAR1FFAR4MRGPRX4MAOBMAOA

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 6 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-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 — — US disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 — — 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 (2 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-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 FFAR1 2144/4885FFAR4 2775/4885MRGPRX4 1009/4885
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 FFAR1 1045/4885FFAR4 2119/4885MRGPRX4 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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