SCHEMBL17216533

SCHEMBL17216533

CCc1cccc(CO/N=[C]\c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KAT6A Q92794 1/20 0.35
▸ KIF11 P52732 3/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ AGXT P21549 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NFKB2 Q00653 2/20 0.33
▸ RELA Q04206 2/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL17216535 1.00 TP53 (0.39) TP53SMN1; SMN2KAT6AKIF11SIGMAR1
SCHEMBL17216369 0.92 KDM1A (0.33) TP53SMN1; SMN2KAT6ASIGMAR1MAPT
SCHEMBL17216367 0.92 KDM1A (0.33) TP53SMN1; SMN2KAT6ASIGMAR1MAPT
SCHEMBL17216567 0.91 TP53 (0.39) TP53SMN1; SMN2KAT6AKIF11SIGMAR1
SCHEMBL17218372 0.91 CYP2A6 (0.38) TP53SMN1; SMN2SIGMAR1MAPTAGXT
SCHEMBL17218370 0.91 CYP2A6 (0.38) TP53SMN1; SMN2SIGMAR1MAPTAGXT
SCHEMBL17216570 0.91 TP53 (0.39) TP53SMN1; SMN2KAT6AKIF11SIGMAR1
SCHEMBL17216011 0.88 IDO1 (0.36) SMN1; SMN2MAPTKDM1AFFAR1
SCHEMBL17216012 0.88 IDO1 (0.36) SMN1; SMN2MAPTKDM1AFFAR1
SCHEMBL17218182 0.87 AGXT (0.45) AGXTCYP3A4CYP2C9TSHRCYP2C19

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 TP53 4563/4885SMN1; SMN2 4013/4885KAT6A 2204/4885

“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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