Sugi Predict

Sugi Predict / Compounds / SCHEMBL16690352

SCHEMBL16690352

SCHEMBL16690352

Cn1nnn(-c2ccccc2OCc2ccc(-c3cccc(Cl)n3)cc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.35
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PTGER1 P34995 3/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ AVPR2 P30518 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ TP53 P04637 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
SCHEMBL16690360 0.89 BRD4 (0.41) BRD4MAPTSMN1; SMN2TDP1CYP11B1
SCHEMBL18053088 0.86 CYP11B1 (0.33) HPGDKDM4EALDH1A1MAPTCYP11B1
SCHEMBL16690430 0.85 GRM5 (0.38) BRD4PKMAVPR2AVPR1AMAPK14
SCHEMBL17788100 0.82 MRGPRX4 (0.35) HPGDMAPTSMN1; SMN2PTGER1
SCHEMBL16690348 0.81 BRD4 (0.51) BRD4MAPTSMN1; SMN2TDP1RXRA
SCHEMBL16385198 0.80 MRGPRX4 (0.34) PTGER1CYP11B1CYP11B2
SCHEMBL17788104 0.80 MRGPRX4 (0.33) KDM4EALDH1A1MAPTSMN1; SMN2PTGER1
SCHEMBL16385205 0.80 MRGPRX4 (0.33) HPGDKDM4EALDH1A1MAPT
SCHEMBL16690368 0.79 MEN1 (0.44) BRD4MAPTSMN1; SMN2PTGER1MAPK14
SCHEMBL18066959 0.79 MAPT (0.36) BRD4HPGDKDM4EALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3064492-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2018-12-26 — — EP disclosed
US-10091998-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-09 — — US disclosed
EP-3064492-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-09-07 — — EP disclosed
US-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-01 — — US disclosed
US-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-01 — — US disclosed
US-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-01 — — US disclosed
WO-2015064727-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME 住友化学株式会社 2015-05-07 — — WO 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-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF TCOF1, TAOK2, CYC1 BRD4 2924/4885HPGD 4647/4885KDM4E 3363/4885
US-10091998-B2 Tetrazolinone compound and use thereof RO60, MT-CO1, ROS1 BRD4 2717/4885HPGD 4633/4885KDM4E 2721/4885

“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.