SCHEMBL5324874

SCHEMBL5324874

Cc1nn(-c2ccccc2)nc1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
KDM4E B2RXH2 4/20 0.55
PKM P14618 3/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
KAT2B Q92831 1/20 0.55
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 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
SCHEMBL13899486 0.84 LMNA (0.55) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL201295 0.81 LMNA (0.51) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL5327176 0.79 LMNA (0.47) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL12713296 0.79 KDM4E (0.49) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL5737641 0.78 KDM4E (0.49) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL3507658 0.77 KDM4E (0.51) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL203832 0.77 KDM4E (0.48) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL3520487 0.77 KDM4E (0.48) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL13899493 0.76 TSHR (0.59) LMNAKDM4EPKMADORA3ADORA2A
SCHEMBL12024804 0.76 KDM4E (0.47) LMNAKDM4EPKMADORA3ADORA2A

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-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 LMNA 3704/4885KDM4E 4305/4885PKM 4619/4885

“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.