SCHEMBL17218435

SCHEMBL17218435

CCC=NOCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
KMT2A Q03164 2/20 0.42
MAOB P27338 7/20 0.41
TAAR1 Q96RJ0 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NR1I2 O75469 1/20 0.36
NR1I3 Q14994 1/20 0.36
S1PR1 P21453 1/20 0.36
MIF P14174 1/20 0.36
MEN1 O00255 1/20 0.35
PSMD14 O00487 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL17219671 0.87 IDO1 (0.46) IDO1KMT2AMAOBTAAR1CARM1
SCHEMBL17216495 0.84 IDO1 (0.44) IDO1KMT2AMAOBKDM4EHTT
SCHEMBL17217527 0.81 IDO1 (0.54) IDO1MAOBTAAR1HTTMIF
SCHEMBL17217363 0.81 IDO1 (0.50) IDO1KMT2AMAOBTAAR1KDM4E
SCHEMBL17216170 0.81 IDO1 (0.44) IDO1KMT2AMAOBKDM4ESMN1; SMN2
SCHEMBL17217755 0.81 TSHR (0.43) CARM1PRMT6ALDH1A1
SCHEMBL17218697 0.80 SMN1; SMN2 (0.39) KMT2ATAAR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL15866003 0.79 AGXT (0.45) IDO1MAOBSMN1; SMN2MAPT
SCHEMBL17216969 0.79 AGXT (0.45) IDO1MAOBSMN1; SMN2MAPT
SCHEMBL17215656 0.79 IDO1 (0.47) IDO1KMT2AMAOBTAAR1KDM4E

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 IDO1 2882/4885KMT2A 2914/4885MAOB 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.