SCHEMBL3307048

SCHEMBL3307048

CCN(/C=N/c1cc(C)c(Oc2ccc(Cl)c(Br)c2)cc1C)CC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.34
SLC6A4 P31645 10/20 0.34
KCNH2 Q12809 8/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3307051 1.00 HTR2A (0.34) HTR2ASLC6A4KCNH2ALDH1A1MAPT
SCHEMBL3310690 0.94 HTR2A (0.32) HTR2ASLC6A4KCNH2
SCHEMBL3310692 0.94 HTR2A (0.32) HTR2ASLC6A4KCNH2
SCHEMBL3310447 0.91 HTR2A (0.34) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3310451 0.91 HTR2A (0.34) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3308871 0.90 HTR2A (0.34) HTR2ASLC6A4KCNH2ALDH1A1MAPT
SCHEMBL3308873 0.90 HTR2A (0.34) HTR2ASLC6A4KCNH2ALDH1A1MAPT
SCHEMBL3313397 0.90 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL3313399 0.90 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL3302418 0.90 HTR2A (0.44) HTR2ASLC6A4KCNH2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199922-B2 Dihalophenoxyphenylamidines and use thereof as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
EP-2136627-B1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER IP GMBH (DE) 2015-05-13 EP claimed
US-20100099558-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-22 US claimed
US-9199922-B2 Dihalophenoxyphenylamidines and use thereof as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-20100099558-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-22 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-20100099558-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, PAH, DNPH1 HTR2A 2254/4885SLC6A4 1388/4885KCNH2 1849/4885

“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.