SCHEMBL16079946

SCHEMBL16079946

CC(C)(C)CC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA2 P00918 1/20 0.42
ITGA4 P13612 2/20 0.41
ITGB7 P26010 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
THRB P10828 2/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL16079948 0.86 CA2 (0.55) KMT2AMEN1LMNAHPGDCYP1A2
SCHEMBL500869 0.82 PPARG (0.56) KMT2AMEN1LMNACA2ITGA4
SCHEMBL17083262 0.82 PPARG (0.56) KMT2AMEN1LMNACA2ITGA4
SCHEMBL468113 0.82 PPARG (0.56) KMT2AMEN1LMNACA2ITGA4
SCHEMBL3572564 0.82 CA2 (0.49) KMT2AMEN1LMNAHPGDCYP1A2
SCHEMBL16079947 0.80 KMT2A (0.42) KMT2AMEN1LMNAHPGDCYP1A2
SCHEMBL14186565 0.77 ITGA4 (0.41) KMT2AMEN1LMNACA2ITGA4
SCHEMBL8932072 0.77 MEN1 (0.43) KMT2AMEN1LMNACA2ITGA4
SCHEMBL15998089 0.76 CTSL (0.41) KMT2AMEN1LMNAHPGDCA2
SCHEMBL8021733 0.75 MEN1 (0.47) KMT2AMEN1LMNAALDH1A1MAPT

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-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC. (US) 2014-09-18 US disclosed
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC. (US) 2014-09-18 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-20140275103-A1 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR KMT2A 1502/4885MEN1 875/4885LMNA 3522/4885

“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.