SCHEMBL20009185

SCHEMBL20009185

CCCN1C[C@@H]2C[C@@H](N(OCc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]2C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.35
AR P10275 1/20 0.35
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.34
FKBP1A P62942 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
SCHEMBL20009188 0.89 KMT2A (0.37) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL20009182 0.86 KMT2A (0.39) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL19990908 0.75 KMT2A (0.35) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL22368492 0.74 KMT2A (0.36) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL19990660 0.74 KMT2A (0.36) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL19990663 0.74 KMT2A (0.34) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL19990607 0.73 KMT2A (0.35) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL23927097 0.73 MCL1 (0.35) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL15288393 0.72 KMT2A (0.41) KMT2AMEN1ALDH1A1PKMFKBP1A
SCHEMBL22368503 0.72 MEN1 (0.36) KMT2AMEN1ALDH1A1POLBLMNA

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-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 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-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KMT2A 1342/4885MEN1 3698/4885ALDH1A1 683/4885

“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.