SCHEMBL1345952

SCHEMBL1345952

CC(=O)OC(=O)c1[nH]c2ccc(C(=O)Nc3ccccc3)cc2c1CCCN

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
MCL1 Q07820 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KMT2A Q03164 3/20 0.44
HTR6 P50406 1/20 0.43
TP53 P04637 4/20 0.42
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41

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
Acetic Acid SCHEMBL1345951 0.88 MAPT (0.54) MAPTMCL1JAK2JAK1KMT2A
SCHEMBL1345355 0.87 MAPT (0.54) MAPTMCL1JAK2JAK1KMT2A
SCHEMBL4784285 0.81 TP53 (0.55) MAPTMCL1KMT2ATP53MEN1
SCHEMBL1345627 0.80 MAPT (0.57) MAPTMCL1KMT2ATP53MEN1
SCHEMBL1345870 0.80 RAB9A (0.60) MAPTKMT2ATP53MEN1RAB9A
SCHEMBL1346632 0.79 KMT2A (0.56) MAPTKMT2ATP53MEN1RAB9A
SCHEMBL2993892 0.79 HTR6 (0.49) MAPTHTR6RAB9AMAPKAPK2NPC1
SCHEMBL1345681 0.78 MAPT (0.59) MAPTMCL1KMT2ATP53MEN1
SCHEMBL1345311 0.78 PRNP (0.47) MAPTJAK2JAK1KMT2ATP53
SCHEMBL1345168 0.78 POLB (0.56) MAPTJAK2JAK1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 MAPT 2259/4885MCL1 658/4885JAK2 127/4885

“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.