SCHEMBL707102

SCHEMBL707102

COc1ccc2c(c1)N(CCN1CCC(N(C(=O)O)C(C)(C)C)CC1)C(=O)CS2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM1A O60341 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
CHRM1 P11229 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
ATM Q13315 1/20 0.39
OPRM1 P35372 2/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
CLK1 P49759 1/20 0.38
UBE2I P63279 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38

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
SCHEMBL706817 0.84 CHRM1 (0.56) KCNH2CHRM1
SCHEMBL708406 0.82 KCNH2 (0.55) KCNH2MEN1KMT2ACHRM1MAPT
SCHEMBL920066 0.81 KCNH2 (0.60) KCNH2MEN1KMT2AKDM1ALMNA
SCHEMBL707120 0.81 KCNH2 (0.59) KCNH2MEN1KMT2AKDM1ALMNA
SCHEMBL705556 0.79 KCNH2 (0.52) KCNH2CHRM1OPRM1UBE2IHKDC1
SCHEMBL707943 0.74 KCNH2 (0.51) KCNH2OPRM1
SCHEMBL707733 0.73 KCNH2 (0.56) KCNH2CHRM1
SCHEMBL10511825 0.73 LMNA (0.51) MEN1KMT2ALMNANPC1ATM
SCHEMBL707261 0.73 CNR2 (0.43) OPRM1
SCHEMBL707472 0.72 KCNH2 (0.55) KCNH2

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-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
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP 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 4242/4885MEN1 2771/4885KMT2A 3561/4885

“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.