SCHEMBL463709

SCHEMBL463709

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ccc(N3CCNC3=O)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
CYP2E1 P05181 1/20 0.45
F10 P00742 9/20 0.37
ITGB3 P05106 6/20 0.37
ITGA2B P08514 6/20 0.37
TDO2 P48775 1/20 0.36
CALML3 P27482 2/20 0.35
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL463748 0.90 MAOA (0.53) MAOACYP2E1F10TDO2CALML3
SCHEMBL463398 0.90 MAOA (0.60) MAOACYP2E1CALML3CYP2C9CYP2C19
SCHEMBL463586 0.87 MAOA (0.48) MAOACYP2E1F10ITGB3ITGA2B
SCHEMBL463440 0.86 MAOA (0.47) MAOACYP2E1F10
SCHEMBL463337 0.85 CYP2E1 (0.52) MAOACYP2E1F10TDO2CALML3
SCHEMBL463342 0.84 CYP2E1 (0.57) MAOACYP2E1F10TDO2CALML3
SCHEMBL411619 0.83 GRM2 (0.40) TDO2CALML3
SCHEMBL412724 0.82 CALML3 (0.50) MAOATDO2CALML3CYP2C9CYP2C19
SCHEMBL463290 0.79 MAOA (0.52) MAOACYP2E1F10CALML3CYP2C9
SCHEMBL463449 0.79 MAOA (0.51) MAOACYP2E1F10CALML3CYP2C9

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-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 MAOA 853/4885CYP2E1 352/4885F10 3187/4885

“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.