SCHEMBL4353243

SCHEMBL4353243

N#Cc1ccc(NC(=O)Nc2cccc(Cl)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
LMNA P02545 6/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
NLRP3 Q96P20 1/20 0.61
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
TAS1R2 Q8TE23 1/20 0.59
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 3/20 0.57
CXCR2 P25025 4/20 0.57
CXCR1 P25024 3/20 0.56
KDM4E B2RXH2 4/20 0.53
GAA P10253 3/20 0.53
GLA P06280 1/20 0.53
RAB9A P51151 3/20 0.52
POLB P06746 3/20 0.52
MAPK1 P28482 2/20 0.52
SAE1 Q9UBE0 1/20 0.52

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
SCHEMBL4354102 0.84 TRPV1 (0.58) MAPTLMNAHTTNLRP3MEN1
SCHEMBL4354887 0.83 MAPT (0.57) MAPTLMNATSHRHTTNLRP3
SCHEMBL4358673 0.82 LMNA (0.64) MAPTLMNATSHRHTTNLRP3
SCHEMBL4354878 0.82 MEN1 (0.73) MAPTLMNATSHRHTTMEN1
SCHEMBL3706592 0.81 KMT2A (0.75) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4358449 0.80 MAPT (0.69) MAPTLMNATSHRHTTNLRP3
SCHEMBL11054945 0.78 MAPT (0.81) MAPTLMNATSHRHTTNLRP3
SCHEMBL4351128 0.78 EPHX2 (0.61) MAPTLMNAHTTMEN1KMT2A
SCHEMBL8982664 0.77 MAPT (0.57) MAPTLMNATSHRHTTNLRP3
SCHEMBL4116856 0.77 MAPT (1.00) MAPTLMNATSHRHTTNLRP3

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.