SCHEMBL2831540

SCHEMBL2831540

C[C@]1(C(N)=O)CC[C@@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
TP53 P04637 1/20 0.47
MAOB P27338 1/20 0.45
PARP10 Q53GL7 1/20 0.45
SIRT1 Q96EB6 2/20 0.45
ADAM17 P78536 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
AMPD2 Q01433 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2832438 1.00 KCNH2 (0.51) KCNH2TP53MAOBPARP10SIRT1
SCHEMBL2835599 0.91 TP53 (0.48) KCNH2TP53MAOBSIRT1ADAM17
SCHEMBL4830210 0.91 TP53 (0.48) KCNH2TP53MAOBSIRT1ADAM17
SCHEMBL311656 0.88 YAP1 (0.46) KCNH2TP53MAOBPARP10ADAM17
SCHEMBL484710 0.88 YAP1 (0.46) KCNH2TP53MAOBPARP10ADAM17
SCHEMBL2832873 0.87 KCNH2 (0.59) KCNH2MAOBPARP10OPRM1OPRD1
SCHEMBL2832497 0.87 KCNH2 (0.59) KCNH2MAOBPARP10OPRM1OPRD1
SCHEMBL2833719 0.84 KCNH2 (0.55) KCNH2MAOBADAM17ALDH1A1
SCHEMBL841357 0.84 KCNH2 (0.48) KCNH2TP53MAOBPARP10ADAM17
SCHEMBL840063 0.84 KCNH2 (0.48) KCNH2TP53MAOBPARP10ADAM17

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-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885TP53 4018/4885MAOB 1344/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885TP53 4347/4885MAOB 2215/4885

“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.