SCHEMBL4401608

SCHEMBL4401608

Cc1ccc(NC(=O)c2ccnc(Cl)c2)c(C2CCN(Cc3ccc(-c4ncc(Cl)cn4)cc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.44
MCHR1 Q99705 2/20 0.42
HTR2C P28335 1/20 0.41
HDAC1 Q13547 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
ACKR3 P25106 1/20 0.39
MAPK14 Q16539 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL4403433 0.94 ACHE (0.42) F10MCHR1HTR2CHDAC1ACKR3
SCHEMBL2681756 0.90 F10 (0.44) F10MCHR1HTR2CGSK3B
SCHEMBL12535742 0.88 MCHR1 (0.44) F10MCHR1HDAC1KCNH2CACNA1I
SCHEMBL2681885 0.88 F10 (0.44) F10
Hydrochloric Acid SCHEMBL2681741 0.87 F10 (0.43) F10
Acetic Acid SCHEMBL2680690 0.87 F10 (0.42) F10MCHR1HDAC1
SCHEMBL2680635 0.86 F10 (0.43) F10MCHR1HTR2CHDAC1ACKR3
SCHEMBL4401609 0.85 MAPK14 (0.38) F10MAPK14GSK3B
SCHEMBL2682590 0.84 F10 (0.42) F10MCHR1HTR2CHDAC1KCNH2
SCHEMBL2680721 0.83 HIF1A (0.42) F10MCHR1HTR2CGSK3B

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-8586593-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-11-19 US disclosed
US-20120115884-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 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-20120115884-A1 INSECTICIDAL COMPOUNDS ACHE, C1R, C5 F10 1116/4885MCHR1 176/4885HTR2C 4233/4885

“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.