SCHEMBL7071573

SCHEMBL7071573

N#Cc1cc(C#N)cc(Oc2cccc(OC(=O)c3cccs3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.54
HPGD P15428 4/20 0.54
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G1B P04054 2/20 0.46
ATG4B Q9Y4P1 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43
C1S P09871 2/20 0.43

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
SCHEMBL2126821 0.79 KMT2A (0.52) KMT2AHPGDALOX15SMN1; SMN2PLA2G1B
SCHEMBL7071938 0.76 CYP3A4 (0.51) KMT2ASMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL7073992 0.75 PRSS1 (0.53) KMT2AHPGDALOX15SMN1; SMN2TDP1
SCHEMBL7070749 0.75 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL7075444 0.74 KDM4E (0.52) KMT2AALOX15ALDH1A1GAAKDM4E
SCHEMBL7074165 0.74 KMT2A (0.48) KMT2AHPGDSMN1; SMN2TDP1MAPT
SCHEMBL6624505 0.74 KMT2A (0.55) KMT2AHPGDALOX15SMN1; SMN2PLA2G1B
SCHEMBL15200218 0.74 KMT2A (0.61) KMT2AHPGDALOX15SMN1; SMN2PLA2G1B
SCHEMBL7073822 0.73 ELANE (0.50) SMN1; SMN2POLBALDH1A1
SCHEMBL12768208 0.73 PLA2G1B (0.64) KMT2AHPGDALOX15SMN1; SMN2PLA2G1B

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 KMT2A 1086/4885HPGD 1073/4885ALOX15 442/4885

“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.