SCHEMBL7073992

SCHEMBL7073992

N#Cc1cc(C#N)cc(Oc2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.53
ACR P10323 2/20 0.53
KMT2A Q03164 3/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MGLL Q99685 1/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
GPR18 Q14330 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
SCHEMBL7075444 0.88 KDM4E (0.52) PRSS1ACRKMT2AALOX15KDM4E
SCHEMBL7070119 0.81 AR (0.49) KMT2AALDH1A1GAAHPGDMAPT
SCHEMBL7074165 0.81 KMT2A (0.48) PRSS1ACRKMT2AKDM4EALDH1A1
SCHEMBL7074792 0.79 PRSS1 (0.45) PRSS1ACRCYP1A2CYP2C9TDP1
SCHEMBL7071938 0.77 CYP3A4 (0.51) PRSS1ACRKMT2AALDH1A1MGLL
SCHEMBL7074948 0.77 AR (0.54) KMT2AALDH1A1GAAMAPTCYP1A2
SCHEMBL7074601 0.77 AR (0.54) KMT2AALDH1A1GAAMAPTCYP1A2
SCHEMBL7577334 0.77 KMT2A (0.58) KMT2AALOX15KDM4EALDH1A1GAA
SCHEMBL7070749 0.76 SMN1; SMN2 (0.50) KMT2AALDH1A1GAAMAPTTDP1
SCHEMBL28741088 0.76 PRSS1 (0.65) PRSS1ACRKMT2AALDH1A1MGLL

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 PRSS1 4668/4885ACR 980/4885KMT2A 1086/4885

“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.