SCHEMBL4353960

SCHEMBL4353960

CC(=O)Nc1ccc(Sc2ccccc2CNc2cccc(Cl)c2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOD2 Q9HC29 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALOX12 P18054 2/20 0.39
ATM Q13315 1/20 0.39
SLC6A9 P48067 1/20 0.39
CA1 P00915 1/20 0.39
ACHE P22303 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4346370 0.89 CTSD (0.41) MAPTRAB9ALMNAALDH1A1BLM
SCHEMBL4351860 0.88 LMNA (0.42) MAPTRAB9ALMNABLMSMN1; SMN2
SCHEMBL4347664 0.87 SMN1; SMN2 (0.41) MAPTRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL4342203 0.86 KDM4E (0.47) MAPTRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL4346978 0.86 MAPT (0.41) MAPTRAB9ALMNAALDH1A1NPSR1
SCHEMBL4354635 0.85 LMNA (0.44) MAPTRAB9ALMNAALDH1A1BLM
SCHEMBL4349017 0.85 LMNA (0.38) MAPTRAB9ALMNAALDH1A1BLM
SCHEMBL4345359 0.84 SLC6A4 (0.40) MAPTLMNAALDH1A1BLMNPSR1
SCHEMBL4346907 0.84 SLC6A4 (0.48) MAPTLMNAALDH1A1BLMNPSR1
SCHEMBL4351156 0.84 SMN1; SMN2 (0.43) MAPTLMNAALDH1A1BLMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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 (2 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 MAPT 4439/4885RAB9A 4228/4885LMNA 3160/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885RAB9A 4588/4885LMNA 3661/4885

“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.