SCHEMBL20009636

SCHEMBL20009636

CCCC(=O)N[C@@H](CCN=[N+]=[N-])C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HDAC2 Q92769 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TAS1R3 Q7RTX0 3/20 0.34
▸ TAS1R1 Q7RTX1 3/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.33

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
SCHEMBL17746958 0.89 NOD1 (0.48) KMT2APOLBNOD1
SCHEMBL17746954 0.89 NOD1 (0.48) KMT2APOLBNOD1
SCHEMBL22996115 0.87 KMT2A (0.35) KMT2APOLBHDAC2L3MBTL1TAS1R3
SCHEMBL20009714 0.85 NOD1 (0.48) HDAC2NOD1
SCHEMBL17747010 0.83 KMT2A (0.44) KMT2APOLBNOD1
SCHEMBL17747023 0.83 KMT2A (0.44) KMT2APOLBNOD1
SCHEMBL20009571 0.81 HDAC8 (0.35) KMT2APOLBHDAC2L3MBTL1
SCHEMBL17747018 0.79 HDAC8 (0.43) KMT2APOLB
SCHEMBL17746994 0.79 HDAC8 (0.43) KMT2APOLB
SCHEMBL17747020 0.79 HDAC8 (0.43) KMT2APOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — 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-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 KMT2A 3513/4885POLB 2800/4885HDAC2 1956/4885

“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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