SCHEMBL4359567

SCHEMBL4359567

CC(O)c1cc(Cl)cc(NC(=O)Nc2ccc(C#N)cc2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.56
NLRP3 Q96P20 1/20 0.56
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CXCR1 P25024 1/20 0.45
CXCR2 P25025 1/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 2/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
IL18 Q14116 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.44
GAA P10253 2/20 0.43

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
SCHEMBL4342233 0.88 GRIK1 (0.51) MAPTLMNAHTTNLRP3ALDH1A1
SCHEMBL4342004 0.84 KMT2A (0.54) MAPTLMNATSHRHTTMEN1
SCHEMBL4342379 0.83 MAPT (0.55) MAPTLMNATSHRHTTNLRP3
SCHEMBL4358673 0.83 LMNA (0.64) MAPTLMNATSHRHTTNLRP3
SCHEMBL4356017 0.81 GRIK1 (0.56) MAPTHTTMEN1KMT2ARAB9A
SCHEMBL4355460 0.80 MEN1 (0.52) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL4345449 0.79 EPHX2 (0.54) ALDH1A1RAB9A
SCHEMBL4351428 0.76 RAB9A (0.59) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4349313 0.76 MAPT (0.70) MAPTLMNATSHRHTTNLRP3
SCHEMBL4351678 0.76 DDX3X (0.49) MAPTHTTALDH1A1MEN1KMT2A

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 5 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-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 3160/4885TSHR 1112/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885LMNA 3661/4885TSHR 1455/4885

“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.