SCHEMBL7696677

SCHEMBL7696677

C=CCn1ncc(C(=O)c2ccccc2)c1S

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.43
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.37
AKR1C3 P42330 1/20 0.37
HRH1 P35367 1/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5702291 0.84 MAPK14 (0.43) MAPK14KMT2AALDH1A1HPGDLMNA
SCHEMBL5702334 0.70 ALDH1A1 (0.44) KMT2AALDH1A1HPGDLMNAHRH1
SCHEMBL252005 0.69 HSD11B1 (0.42) KMT2AALDH1A1HPGDLMNAHRH1
SCHEMBL7162982 0.68 KDM4E (0.40) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL15767958 0.68 KDM4E (0.40) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
Benzoic Acid SCHEMBL11460148 0.68 HRH1 (0.46) KMT2AALDH1A1HPGDHRH1MEN1
Benzoic Acid SCHEMBL11463312 0.67 OPRD1 (0.40) KMT2AALDH1A1LMNAHRH1MEN1
Benzophenone SCHEMBL28043630 0.66 CYP3A4 (0.57) KMT2AALDH1A1HPGDLMNAHRH1
SCHEMBL2087994 0.66 KDM4E (0.45) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL11329042 0.66 HRH1 (0.39) KMT2AALDH1A1HPGDLMNAHRH1

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-6420317-B1 SELECTIVE CONTROL OF BROAD-LEAVED WEEDS AND WEED GRASSES IN CROPS OF USEFUL PLANTS, SUCH AS TRANSGENIC PLANTS AVENTIS CROPSCIENCE GMBH (DE) 2002-07-16 US disclosed
US-20020065200-A1 Benzoylpyrazoles and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-05-30 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-20020065200-A1 Benzoylpyrazoles and their use as herbicides CYP2E1, CBR3, CYP1B1 MAPK14 2003/4885KMT2A 2495/4885ALDH1A1 153/4885

“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.