SCHEMBL4345875

SCHEMBL4345875

CC(=O)Nc1ccc(Sc2ccccc2CNc2cc([N+](=O)[O-])cc(F)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
LMNA P02545 5/20 0.42
ALDH1A1 P00352 2/20 0.42
PAX8 Q06710 1/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
PDE7A Q13946 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 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
SCHEMBL4345853 0.88 MAPT (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4342384 0.88 MAPT (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4350287 0.87 MAPT (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4359780 0.86 SMN1; SMN2 (0.37) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4345686 0.85 SLC6A4 (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4348735 0.85 ALDH3A1 (0.46) MAPTLMNAALDH1A1PAX8MEN1
SCHEMBL4358425 0.85 MEN1 (0.49) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4347664 0.84 SMN1; SMN2 (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4352975 0.83 GPR39 (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4345417 0.82 SLC6A4 (0.42) MAPTLMNAALDH1A1MEN1KMT2A

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 7 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-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 4439/4885LMNA 3160/4885ALDH1A1 2565/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885LMNA 3661/4885ALDH1A1 2767/4885

“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.