SCHEMBL4901043

SCHEMBL4901043

CCCc1n[nH]c2ccc(C(=O)OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
MAP2K4 P45985 2/20 0.44
GPR84 Q9NQS5 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
STAT3 P40763 1/20 0.43
HIF1A Q16665 1/20 0.43
FLT3 P36888 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4899295 0.89 MEN1 (0.50) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL377681 0.87 MEN1 (0.51) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL1144988 0.85 KDM4E (0.50) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL4783159 0.84 JAK2 (0.46) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL27145740 0.83 MEN1 (0.48) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL16929779 0.79 JAK2 (0.58) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL1501529 0.79 KDM4E (0.55) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL2671105 0.79 MAP2K4 (0.52) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL9485928 0.78 HCRTR1 (0.52) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL29690736 0.78 MEN1 (0.48) MEN1KMT2AATML3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 WO 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR MEN1 2376/4885KMT2A 758/4885ATM 45/4885

“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.