SCHEMBL9964851

SCHEMBL9964851

CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5noc(C)n5)nc4)cc3C[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.51
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.34
DGAT1 O75907 1/20 0.34
F10 P00742 7/20 0.33
SLC2A1 P11166 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 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
SCHEMBL12064445 0.88 KCNH2 (0.67) KCNH2MAOBMAOACYP2C19F10
SCHEMBL13429785 0.88 KCNH2 (0.37) KCNH2DGAT1MAPTLMNAHPGD
SCHEMBL9964854 0.87 KCNH2 (0.53) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9930537 0.84 KCNH2 (0.51) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9964771 0.84 KCNH2 (0.51) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9964884 0.84 KCNH2 (0.51) KCNH2MAOBMAOACYP2C19F10
SCHEMBL14069853 0.84 KCNH2 (0.51) KCNH2MAOBMAOACYP2C19F10
SCHEMBL14069650 0.84 KCNH2 (0.37) KCNH2DGAT1
SCHEMBL13429843 0.84 KCNH2 (0.51) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9964796 0.83 KCNH2 (0.37) KCNH2DGAT1

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 4 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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 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 (2 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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT KCNH2 1145/4885MAOB 53/4885MAOA 77/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNH2 1295/4885MAOB 761/4885MAOA 1058/4885

“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.