SCHEMBL7074894

SCHEMBL7074894

N#Cc1cc(C#N)cc(Oc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
HTR2A P28223 11/20 0.51
KCNH2 Q12809 10/20 0.51
SLC6A4 P31645 10/20 0.51
KMO O15229 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HAO1 Q9UJM8 1/20 0.40
AR P10275 2/20 0.40
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 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
SCHEMBL7074385 0.95 KMO (0.54) HSP90AA1HTR2AKCNH2SLC6A4KMO
SCHEMBL14833394 0.87 HTR2A (0.56) HSP90AA1HTR2AKCNH2SLC6A4KMO
SCHEMBL7073821 0.82 AR (0.55) KMOMEN1KMT2AALDH1A1AR
SCHEMBL21820786 0.79 HSP90AA1 (0.71) HSP90AA1HTR2AKCNH2SLC6A4KMO
SCHEMBL7070119 0.79 AR (0.49) MEN1KMT2AALDH1A1HPGDAR
SCHEMBL7070749 0.78 SMN1; SMN2 (0.50) KCNH2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL7074948 0.76 AR (0.54) HTR2AKCNH2SLC6A4MEN1KMT2A
SCHEMBL7074601 0.76 AR (0.54) HTR2AKCNH2SLC6A4MEN1KMT2A
SCHEMBL7073983 0.76 CYP19A1 (0.54) MEN1KMT2AKDM4EALDH1A1AR
SCHEMBL29619624 0.75 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1HPGD

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-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 US disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 HSP90AA1 1067/4885HTR2A 3068/4885KCNH2 1065/4885

“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.