SCHEMBL706189

SCHEMBL706189

CC(C)(C)N(C(=O)O)C1CCN(CCN2C(=O)COc3ccc(S(C)(=O)=O)cc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
POLB P06746 1/20 0.45
CHRM1 P11229 1/20 0.44
TP53 P04637 3/20 0.43
NPC1 O15118 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL705943 0.92 KCNH2 (0.46) KCNH2POLBCHRM1TP53NPC1
SCHEMBL709161 0.88 KCNH2 (0.51) KCNH2POLBCHRM1ALDH1A1
SCHEMBL705652 0.87 TSHR (0.53) POLBCHRM1TP53KMT2AGAA
SCHEMBL707302 0.86 KMO (0.56) KCNH2CHRM1KMT2ATHRB
SCHEMBL708589 0.86 KCNH2 (0.51) KCNH2CHRM1ALDH1A1
SCHEMBL707115 0.86 KCNH2 (0.56) KCNH2CHRM1ALDH1A1
SCHEMBL708216 0.85 KCNH2 (0.54) KCNH2POLBCHRM1NPC1RXFP1
SCHEMBL708406 0.85 KCNH2 (0.55) KCNH2CHRM1KMT2AALDH1A1
SCHEMBL704650 0.84 CHRM1 (0.60) KCNH2CHRM1ALDH1A1
SCHEMBL705187 0.84 KCNH2 (0.53) KCNH2POLBCHRM1ALDH1A1

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 4242/4885POLB 449/4885CHRM1 4854/4885

“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.