SCHEMBL17215972

SCHEMBL17215972

Cc1ccc([C]=NOCc2cccc(C#N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.45
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2A6 P11509 1/20 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
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37

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
SCHEMBL17215970 1.00 GRM5 (0.45) GRM5MRGPRX4TP53MAOBALDH1A1
SCHEMBL17217496 0.91 MRGPRX4 (0.46) GRM5MRGPRX4MAOBHTR6FFAR1
SCHEMBL17217497 0.91 MRGPRX4 (0.46) GRM5MRGPRX4MAOBHTR6FFAR1
SCHEMBL17218180 0.89 GRM5 (0.42) GRM5MRGPRX4TP53MAOBALDH1A1
SCHEMBL17218185 0.89 GRM5 (0.42) GRM5MRGPRX4TP53MAOBALDH1A1
SCHEMBL17217180 0.88 FFAR1 (0.46) GRM5MRGPRX4MAOBALDH1A1FFAR1
SCHEMBL17217178 0.88 FFAR1 (0.46) GRM5MRGPRX4MAOBALDH1A1FFAR1
SCHEMBL17219236 0.88 CYP2A6 (0.47) GRM5MRGPRX4MAOBALDH1A1CYP2A6
SCHEMBL17217586 0.88 MEN1 (0.46) GRM5MRGPRX4TP53MAOBALDH1A1
SCHEMBL17219237 0.88 CYP2A6 (0.47) GRM5MRGPRX4MAOBALDH1A1CYP2A6

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 1822/4885TP53 4563/4885

“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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