SCHEMBL12123789

SCHEMBL12123789

O=C(CCN1CCOCC1)c1ccc(Br)cc1

nearest known ligand 0.97

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.97
KMT2A Q03164 7/20 0.97
MAPT P10636 6/20 0.97
LMNA P02545 3/20 0.97
MPI P34949 1/20 0.97
TP53 P04637 1/20 0.62
ALDH3A1 P30838 1/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 1/20 0.60
THRB P10828 3/20 0.60
THRA P10827 2/20 0.60
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
Hydrochloric Acid SCHEMBL7934858 0.98 KMT2A (1.00) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL9512833 0.92 ALDH1A1 (0.84) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL12123771 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL12123790 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL12123826 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL7255774 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL1927765 0.84 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTLMNAMPI
SCHEMBL321369 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTLMNAMPI
Hydrochloric Acid SCHEMBL7929073 0.83 ALDH1A1 (0.74) ALDH1A1KMT2AMAPTLMNAMPI
Hydrochloric Acid SCHEMBL7932189 0.83 ALDH1A1 (0.74) ALDH1A1KMT2AMAPTLMNAMPI

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 10 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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 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-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
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 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 (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 ALDH1A1 4370/4885KMT2A 1458/4885MAPT 3284/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885MAPT 3284/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885MAPT 3284/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885MAPT 3284/4885

“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.