SCHEMBL17804254

SCHEMBL17804254

Cc1ccccc1-c1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)nc1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30

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
SCHEMBL17804245 0.91 SMN1; SMN2 (0.36) CYP3A4CYP2C9NPC1HPGDTSHR
SCHEMBL16437199 0.91 FFAR1 (0.35) PDCD1CD274CYP3A4CYP2C9PKM
SCHEMBL17804247 0.90 KDM5A (0.33) CYP3A4CYP2C9DPP4ALDH1A1
SCHEMBL17811642 0.90 PDE2A (0.34) ALDH1A1
SCHEMBL17796912 0.88 GRM5 (0.38) CYP3A4CYP2C9NPC1HPGDRAB9A
SCHEMBL17811666 0.88 PPARG (0.34) CYP3A4CYP2C9PKMCYP1A2CYP2D6
SCHEMBL17804259 0.88 BRD9 (0.33) PKM
SCHEMBL17804256 0.87 GRM5 (0.31)
SCHEMBL17811643 0.86 GABRA5 (0.39) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17811641 0.86 BRD9 (0.34) MAPT

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029035-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 PDCD1 1907/4885CD274 1744/4885CYP3A4 39/4885

“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.