SCHEMBL3390047

SCHEMBL3390047

CCOC(=O)CNc1cc(C)nc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ELANE P08246 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL657184 0.88 KDM4E (0.51) KDM4EHTTMAPK1L3MBTL1ALDH1A1
SCHEMBL20476391 0.81 KMT2A (0.42) KDM4EMAPK1ALDH1A1GAAMEN1
SCHEMBL13173077 0.78 KDM4E (0.50) KDM4EHTTMAPK1L3MBTL1ALDH1A1
SCHEMBL31723844 0.78 L3MBTL1 (0.47) KDM4EHTTMAPK1L3MBTL1ALDH1A1
SCHEMBL22251040 0.77 KDM4E (0.54) KDM4EHTTMAPK1L3MBTL1ALDH1A1
SCHEMBL17424052 0.76 KDM4E (0.72) KDM4EHTTMAPK1L3MBTL1ALDH1A1
SCHEMBL9090652 0.76 KDM4E (0.68) KDM4EHTTMAPK1L3MBTL1ALDH1A1
SCHEMBL12885411 0.76 KDM4E (0.43) KDM4EHTTMAPK1L3MBTL1ALDH1A1
SCHEMBL20476323 0.76 MAPT (0.50) HTTMAPK1ALDH1A1TSHRPOLB
SCHEMBL11864751 0.74 KDM4E (0.58) KDM4EHTTMAPK1L3MBTL1ALDH1A1

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-11078165-B2 Compounds for treating tuberculosis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-08-03 US disclosed
US-20200231550-A1 COMPOUNDS FOR TREATING TUBERCULOSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-23 US disclosed
EP-2241555-A1 New RAC1 inhibitors as potential pharmacological agents for heart failure treatment UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2010-10-20 EP 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-11078165-B2 Compounds for treating tuberculosis ATP5ME, ATP5MG, ATP5F1D KDM4E 2150/4885HTT 4338/4885MAPK1 3391/4885
US-20200231550-A1 COMPOUNDS FOR TREATING TUBERCULOSIS ATP5ME, ATP5MG, ATP5F1D KDM4E 2150/4885HTT 4338/4885MAPK1 3391/4885

“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.