SCHEMBL12123783

SCHEMBL12123783

O=C(CCN1CCOCC1)c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 5/20 0.64
KMT2A Q03164 4/20 0.64
SIGMAR1 Q99720 1/20 0.55
TP53 P04637 1/20 0.55
THRB P10828 4/20 0.55
LMNA P02545 2/20 0.52
MPI P34949 1/20 0.52
CYP2C19 P33261 1/20 0.52
MGLL Q99685 1/20 0.51

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
SCHEMBL12123638 0.85 ALDH1A1 (0.70) ALDH1A1MAPTKMT2ASIGMAR1
SCHEMBL12123799 0.84 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ATP53THRB
Romifenone SCHEMBL2109098 0.84 ALDH1A1 (0.66) ALDH1A1MAPTKMT2ATP53LMNA
Hydrochloric Acid SCHEMBL8099007 0.82 USP2 (0.55) ALDH1A1MAPTKMT2ASIGMAR1TP53
SCHEMBL12123807 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL7465394 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ATP53LMNA
SCHEMBL12123820 0.82 KMT2A (0.64) ALDH1A1MAPTKMT2ALMNAMPI
Hydrochloric Acid SCHEMBL7922492 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ATHRBLMNA
Hydrochloric Acid SCHEMBL7930415 0.81 ALDH1A1 (0.65) ALDH1A1MAPTKMT2ASIGMAR1TP53
SCHEMBL12123824 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ATP53THRB

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 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885

“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.