SCHEMBL3035762

SCHEMBL3035762

Cc1cc(Br)cc(C)c1NC(=O)c1ccc(C#N)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.44
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
S1PR3 Q99500 11/20 0.40
S1PR1 P21453 7/20 0.40
S1PR4 O95977 3/20 0.39
DHODH Q02127 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR2 O95136 1/20 0.38

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
SCHEMBL11976313 0.84 MAPT (0.48) LCKMAPTPKMTAS1R3TAS1R1
SCHEMBL3011716 0.83 LCK (0.41) LCKMAPTPKMS1PR3S1PR4
SCHEMBL289980 0.81 LCK (0.39) LCKMAPTPKMS1PR3S1PR1
SCHEMBL3032468 0.81 LCK (0.39) LCKMAPTPKMS1PR3S1PR1
SCHEMBL3224938 0.81 HDAC1 (0.36) LCKMAPTPKMS1PR3S1PR1
SCHEMBL3035849 0.81 MAPT (0.47) MAPT
SCHEMBL3701195 0.80 LCK (0.39) LCKMAPTPKMS1PR3S1PR4
SCHEMBL3026397 0.79 CA1 (0.40) LCKMAPTPKMS1PR3S1PR4
SCHEMBL3652724 0.79 ITGB3 (0.41) LCKMAPTPKMS1PR3S1PR4
SCHEMBL3210164 0.79 HDAC1 (0.34) LCKMAPTS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236828-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-07 US disclosed
US-8236828-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-07 US disclosed
US-8236828-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-07 US disclosed
EP-2212304-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
EP-2212304-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
US-20100216850-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
US-20100216850-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
US-20100216850-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
EP-2212304-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-08-04 EP disclosed
WO-2009049844-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO disclosed
WO-2009049844-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO 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-20100216850-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 LCK 2816/4885MAPT 2752/4885PKM 3198/4885

“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.