SCHEMBL12412686

SCHEMBL12412686

CC(C)(C)c1cnc(N2CCN(CC(=O)O)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MDM2 Q00987 2/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
OPRL1 P41146 1/20 0.43
PKM P14618 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
TNF P01375 1/20 0.39

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
SCHEMBL12412693 0.86 HTR1A (0.48) PPARGPPARDPPARAHRH3
SCHEMBL21780812 0.83 ALDH1A1 (0.49) KDM4EMDM2ALDH1A1TDP1SMN1; SMN2
SCHEMBL19145347 0.81 KDM4E (0.49) KDM4EMDM2ALDH1A1TDP1SMN1; SMN2
SCHEMBL18088545 0.80 ALDH1A1 (0.47) KDM4EMDM2ALDH1A1TDP1SMN1; SMN2
SCHEMBL19105532 0.79 ALDH1A1 (0.50) KDM4EMDM2ALDH1A1TDP1SMN1; SMN2
SCHEMBL12412689 0.79 CYP2C9 (0.49) KDM4EPPARGPPARDPPARAALDH1A1
SCHEMBL7356339 0.78 ALDH1A1 (0.66) KDM4EMDM2ALDH1A1TDP1SMN1; SMN2
SCHEMBL12458941 0.77 MEN1 (0.48) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL11916032 0.77 HRH3 (0.40) KDM4EPPARGPPARDPPARATDP1
Hydrochloric Acid SCHEMBL1371732 0.76 ALDH1A1 (0.64) KDM4EMDM2ALDH1A1TDP1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI KDM4E 315/4885MDM2 2516/4885PPARG 143/4885

“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.