SCHEMBL22984253

SCHEMBL22984253

CC(C)NCc1ccc2c(c1)C(=O)C(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SLC2A1 P11166 1/20 0.33
GAA P10253 1/20 0.33
LTA4H P09960 1/20 0.33
POLB P06746 1/20 0.33
CA2 P00918 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL11946799 0.84 HTR7 (0.38) PARP1KDM4EALDH1A1ATML3MBTL1
SCHEMBL10227666 0.79 PDK2 (0.44) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL506797 0.77 CA12 (0.36) KDM4EALDH1A1TSHRGAACA2
SCHEMBL506707 0.76 TSHR (0.40) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL18656445 0.73 KDM4E (0.41) PARP1KDM4EALDH1A1TSHRKMT2A
SCHEMBL5543907 0.70 MAPT (0.37) KDM4EALDH1A1TSHRGAAATM
SCHEMBL15052571 0.69 HIF1A (0.57)
SCHEMBL23362956 0.68 CA1 (0.43) CA2L3MBTL1
SCHEMBL2433995 0.68 PPOX (0.41) KDM4EALDH1A1
SCHEMBL5543912 0.68 MAPT (0.58) KDM4EALDH1A1KMT2AMEN1CA2

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-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 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-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 PARP1 1185/4885KDM4E 2503/4885ALDH1A1 2638/4885

“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.