SCHEMBL3324009

SCHEMBL3324009

Cc1cc(Oc2ccc(-c3ccccc3)cc2)c(C)cc1/N=C/N(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
SLC6A4 P31645 3/20 0.34
HTR2A P28223 2/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
LSS P48449 1/20 0.33
CYP2C9 P11712 1/20 0.32
HPGD P15428 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
SCHEMBL3324011 1.00 CYP1A2 (0.35) CYP1A2CYP2C19SLC6A4HTR2ACYP3A4
SCHEMBL3316914 0.92 CYP3A4 (0.37) CYP1A2CYP2C19SLC6A4CYP3A4ADRA2A
SCHEMBL3326015 0.88 SLC6A4 (0.34) SLC6A4HTR2ACYP3A4ADRA2AALDH1A1
SCHEMBL3326013 0.88 SLC6A4 (0.34) SLC6A4HTR2ACYP3A4ADRA2AALDH1A1
SCHEMBL3300347 0.82 HTR2A (0.37) CYP1A2CYP2C19SLC6A4HTR2ACYP3A4
SCHEMBL3300349 0.82 HTR2A (0.37) CYP1A2CYP2C19SLC6A4HTR2ACYP3A4
SCHEMBL22176888 0.80 TTR (0.43) SLC6A4CYP3A4ADRA2AALDH1A1MEN1
SCHEMBL2685505 0.79 SMN1; SMN2 (0.36) SLC6A4HTR2ACYP3A4ADRA2AMAPT
SCHEMBL15649015 0.79 SMN1; SMN2 (0.36) SLC6A4HTR2ACYP3A4ADRA2AMAPT
SCHEMBL2685504 0.79 SMN1; SMN2 (0.36) SLC6A4HTR2ACYP3A4ADRA2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299302-B2 4-Cycloalkyl or 4-substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-05-13 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-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH CYP1A2 13/4885CYP2C19 10/4885SLC6A4 895/4885

“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.