SCHEMBL4436157

SCHEMBL4436157

O=C(O)COCc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MCTS1 Q9ULC4 1/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
Hydrochloric Acid SCHEMBL9459733 0.98 KMT2A (0.35) KMT2AALOX15SLC16A3SLC16A1MCTS1
Hydrochloric Acid SCHEMBL9460094 0.81 CYP4F2 (0.33) ALOX15CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL9459758 0.79 CYP4F2 (0.37) CYP4F2CYP4A11
Imidazole Acetic Acid SCHEMBL2787422 0.77 GABRR1 (0.40)
SCHEMBL18780360 0.77
SCHEMBL10348009 0.76 PAM (0.46) KMT2AALOX15
SCHEMBL26444929 0.75 NPC1 (0.33)
Imidazole Acetic Acid SCHEMBL637983 0.75
Imidazole Acetic Acid SCHEMBL9099789 0.75 GABRR1 (0.41)
Imidazole Acetic Acid SCHEMBL27340954 0.75

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-20090192149-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 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 (2 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-20090192149-A1 Imidazo Compounds CYP19A1, CYP11B2, GPER1 KMT2A 1116/4885ALOX15 4320/4885SLC16A3 2536/4885
US-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 KMT2A 3087/4885ALOX15 2419/4885SLC16A3 2458/4885

“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.