SCHEMBL4355634

SCHEMBL4355634

Cc1c(Cl)cc(NC(=O)Nc2ccc(C#N)cc2)c(O)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
TSHR P16473 1/20 0.56
NLRP3 Q96P20 1/20 0.56
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
IDO1 P14902 1/20 0.48
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
IL18 Q14116 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL4348718 0.85 MEN1 (0.53) MAPTLMNAHTTNLRP3MEN1
SCHEMBL4359810 0.83 MEN1 (0.56) MAPTLMNAHTTTSHRMEN1
SCHEMBL4358673 0.81 LMNA (0.64) MAPTLMNAHTTTSHRNLRP3
SCHEMBL4350325 0.80 MEN1 (0.55) MAPTHTTMEN1KMT2ARAB9A
SCHEMBL4358591 0.79 P2RY1 (0.49) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4358449 0.78 MAPT (0.69) MAPTLMNAHTTTSHRNLRP3
SCHEMBL4354187 0.78 MEN1 (0.59) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL4356110 0.77 EPHX2 (0.58) MAPTHTTMEN1KMT2ARAB9A
SCHEMBL4353243 0.76 MAPT (0.61) MAPTLMNAHTTTSHRNLRP3
SCHEMBL8982664 0.76 MAPT (0.57) MAPTLMNAHTTTSHRNLRP3

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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP 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 3160/4885HTT 3824/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885LMNA 3661/4885HTT 3995/4885

“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.