SCHEMBL1701298

SCHEMBL1701298

Cc1cc(NN=[N+]=[N-])cc2oc(=O)n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.36
▸ PKM P14618 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31

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
SCHEMBL16435008 0.74 ACACB (0.43) ACACBPKMKDM4EMEN1KMT2A
SCHEMBL16448857 0.72 ACACB (0.38) ACACBMEN1KMT2A
SCHEMBL12787337 0.71 ACACB (0.41) ACACBPKMKDM4EMEN1KMT2A
SCHEMBL1285654 0.68 ACACB (0.39) ACACBPKMKDM4EMEN1KMT2A
SCHEMBL10187968 0.68 ACACB (0.39) ACACBPKMKDM4EMEN1KMT2A
SCHEMBL1286093 0.68 KDR (0.44) ACACBPKMKDM4EMEN1KMT2A
SCHEMBL1285780 0.68 ALDH1A1 (0.41) ACACBPKMKDM4EMEN1KMT2A
SCHEMBL1286064 0.68 ALDH1A1 (0.39) ACACBPKMMEN1KMT2A
SCHEMBL1285630 0.66 NPC1 (0.40) ACACBPKMKDM4EKMT2A
SCHEMBL29951002 0.65 ACACB (0.40) ACACBPKMKDM4EMEN1KMT2A

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-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 — — US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 — — 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 ACACB 4356/4885PKM 942/4885KDM4E 4588/4885

“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.

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