SCHEMBL411145

SCHEMBL411145

O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(N3CCCC3=O)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.48
CNR2 P34972 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
CALML3 P27482 3/20 0.45
PARP1 P09874 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL411136 0.87 CALML3 (0.64) F10MAOAMAOBCYP2C19CYP2C9
SCHEMBL412061 0.86 F10 (0.45) F10CNR2MAOAMAOBPARP1
SCHEMBL411592 0.86 CYP2C19 (0.52) F10CNR2MAOAMAOBCYP2C19
SCHEMBL78299 0.85 F10 (0.59) F10MAOAMAOBCALML3
SCHEMBL411144 0.84 F10 (0.48) F10MAOAMAOBCYP2C19CYP2C9
SCHEMBL412766 0.83 F10 (0.40) F10CNR2PARP1
SCHEMBL412724 0.83 CALML3 (0.50) MAOAMAOBCYP2C19CYP2C9CALML3
SCHEMBL463440 0.82 MAOA (0.47) F10CNR2MAOAPARP1
SCHEMBL412177 0.82 CNR2 (0.45) F10CNR2MAOAMAOBCYP2C19
SCHEMBL411056 0.82 CALML3 (0.47) MAOAMAOBCYP2C19CYP2C9CALML3

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-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
WO-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO 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-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP F10 3187/4885CNR2 778/4885MAOA 853/4885

“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.