SCHEMBL9930211

SCHEMBL9930211

N#C[C@@H]1OC(=O)N2c3ccccc3C[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.47
▸ AADAT Q8N5Z0 2/20 0.38
▸ GOT1 P17174 1/20 0.38
▸ KYAT1 Q16773 1/20 0.38
▸ KYAT3 Q6YP21 1/20 0.38
▸ AR P10275 1/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 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
SCHEMBL4563192 0.69 NOTUM (0.42) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL4563191 0.68 NOTUM (0.41) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL9089813 0.67 MTNR1A (0.51) NOTUM
SCHEMBL9089821 0.67 MTNR1A (0.51) NOTUM
SCHEMBL10759991 0.64 NOTUM (0.39) NOTUMARGRM4MEN1KMT2A
SCHEMBL21839107 0.64 NOTUM (1.00) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL29896718 0.64 NOTUM (1.00) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL17382966 0.64 NOTUM (1.00) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL4554098 0.64 NOTUM (1.00) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL30404647 0.63 NOTUM (0.53) NOTUMAADATGOT1KYAT1KYAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 — — US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 — — US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 — — 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 NOTUM 2955/4885AADAT 1166/4885GOT1 501/4885

“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.

Send feedback