SCHEMBL4341996

SCHEMBL4341996

O=[N+]([O-])c1cc(F)c(O)c(NCc2ccccc2Sc2ccc3cccnc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BAZ1A Q9NRL2 1/20 0.38
KDM4E B2RXH2 5/20 0.35
HTT P42858 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP6 P55212 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NSD2 O96028 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL4354139 0.85 KMT2A (0.41) MAPTLMNAKDM4EHTTNPC1
SCHEMBL4346824 0.85 ALDH3A1 (0.41) MAPTLMNASMN1; SMN2BAZ1AKDM4E
SCHEMBL4352008 0.85 KMT2A (0.43) MAPTLMNAKDM4EHTTNPC1
SCHEMBL4345853 0.84 MAPT (0.41) MAPTLMNASMN1; SMN2HTTPKM
SCHEMBL4350287 0.83 MAPT (0.41) MAPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL4354659 0.82 KDM4E (0.40) MAPTLMNAKDM4EHTTNPC1
SCHEMBL4347748 0.82 LMNA (0.41) MAPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL4345417 0.82 SLC6A4 (0.42) MAPTLMNAHTTNPC1RAB9A
SCHEMBL4345686 0.81 SLC6A4 (0.41) MAPTLMNASMN1; SMN2HTTNPC1
SCHEMBL4342384 0.81 MAPT (0.41) MAPTLMNAHTTRAB9APKM

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 4439/4885LMNA 3160/4885SMN1; SMN2 1791/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885LMNA 3661/4885SMN1; SMN2 3250/4885

“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.