SCHEMBL707963

SCHEMBL707963

CC(C)(C)N(C(=O)O)C1C2CN(CCN3C(=O)COc4ccc(C#N)cc43)CC21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
KMO O15229 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 4/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 2/20 0.36
USP2 O75604 1/20 0.36
PLK1 P53350 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL705187 0.86 KCNH2 (0.53) KCNH2KMOALDH1A1POLBMAPT
SCHEMBL921621 0.82 KCNH2 (0.49) KCNH2KMOALDH1A1POLBMAPT
SCHEMBL706951 0.81 KCNH2 (0.43) KCNH2KMOALDH1A1POLBMAPT
SCHEMBL706952 0.81 KCNH2 (0.43) KCNH2KMOALDH1A1POLBMAPT
SCHEMBL705628 0.80 KCNH2 (0.44) KCNH2KMOALDH1A1POLBMAPT
SCHEMBL709395 0.80 KCNH2 (0.51) KCNH2KMOALDH1A1POLBMAPT
SCHEMBL5133275 0.78 KCNH2 (0.52) KCNH2KMOALDH1A1POLBMAPT
SCHEMBL7279865 0.74 KMO (0.68) KCNH2KMOALDH1A1POLBMAPT
SCHEMBL707302 0.74 KMO (0.56) KCNH2KMOMAPTHTTMEN1
SCHEMBL709161 0.73 KCNH2 (0.51) KCNH2KMOALDH1A1POLBHTT

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-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885KMO 2826/4885ALDH1A1 2130/4885

“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.