SCHEMBL12123773

SCHEMBL12123773

COc1ccc(C(=O)CCN2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 6/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TP53 P04637 1/20 0.53
ALDH3A1 P30838 1/20 0.53
HTR1A P08908 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL12123775 0.85 CYP2D6 (0.65) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL519649 0.80 GAA (0.71) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
SCHEMBL18159075 0.79 KMT2A (0.53) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
SCHEMBL28515710 0.78 ALDH1A1 (0.58) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
SCHEMBL375129 0.77 KDM4E (0.65) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
SCHEMBL12856164 0.77 ALDH1A1 (0.55) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
SCHEMBL5189041 0.77 ALDH1A1 (0.57) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
SCHEMBL20033128 0.77 PDK1 (0.55) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
SCHEMBL4834964 0.76 ALDH1A1 (0.66) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL7930353 0.76 ALDH1A1 (0.67) KMT2AALDH1A1SMN1; SMN2MAPTHTT

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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK KMT2A 1458/4885NPC1 3708/4885ALDH1A1 4370/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK KMT2A 1458/4885NPC1 3708/4885ALDH1A1 4370/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK KMT2A 1458/4885NPC1 3708/4885ALDH1A1 4370/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK KMT2A 1458/4885NPC1 3708/4885ALDH1A1 4370/4885

“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.