SCHEMBL4347677

SCHEMBL4347677

N#Cc1ccc(NC(=O)Nc2cc(Br)cc(F)c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
LMNA P02545 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HTT P42858 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
NLRP3 Q96P20 1/20 0.50
CXCR2 P25025 3/20 0.49
CXCR1 P25024 2/20 0.49
RAB9A P51151 3/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
IL18 Q14116 1/20 0.49
IDO1 P14902 1/20 0.48
NPC1 O15118 2/20 0.48

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
SCHEMBL4342392 0.87 MAPT (0.52) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4341574 0.83 KMT2A (0.53) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4350043 0.82 NPC1 (0.69) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4354252 0.82 MAPT (0.59) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4343284 0.81 EPHX2 (0.58) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4354887 0.80 MAPT (0.57) MAPTLMNAMEN1KMT2AHTT
SCHEMBL6525136 0.79 KMT2A (0.51) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4348975 0.78 NPC1 (0.55) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4346994 0.78 EPHX2 (0.61) MAPTLMNAMEN1KMT2AHTT
SCHEMBL19708131 0.77 IDO1 (0.71) MAPTLMNAMEN1KMT2AHTT

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 3160/4885MEN1 2168/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885LMNA 3661/4885MEN1 3901/4885

“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.