SCHEMBL17192802

SCHEMBL17192802

C/C(=N/O)c1ccccc1CF

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MGLL Q99685 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.33
GFER P55789 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTBP2 P56545 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL17192805 0.83 MEN1 (0.33) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL17192814 0.83 ESR1 (0.36) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL8459305 0.82 GABRA1 (0.41) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL29101876 0.82 GABRA1 (0.41) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL29101886 0.78 ALDH1A1 (0.38) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL4326158 0.77 CYP2D6 (0.46) CYP2D6CYP2C19MEN1KMT2AMAPT
SCHEMBL8520457 0.76 GABRA1 (0.42) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL8651209 0.76 LMNA (0.36) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL9275411 0.76 HPGD (0.39) CYP2D6CYP2C19KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9838496 0.76 TAAR1 (0.46) CYP2D6CYP2C19KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US 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-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 CYP2D6 632/4885CYP2C19 184/4885KDM4E 2748/4885

“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.