SCHEMBL6524249

SCHEMBL6524249

Cc1c(Cl)cc(NC(=S)NC2CCCC2)c(O)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.52
ALOX12 P18054 3/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 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
SCHEMBL4341453 0.99 POLB (0.60) POLBMAPTMEN1KMT2ANPSR1
SCHEMBL6567613 0.84 SMN1; SMN2 (0.59) MEN1KMT2ANPC1CYP2C19SMN1; SMN2
SCHEMBL4349988 0.83 SMN1; SMN2 (0.61) POLBMEN1KMT2ANPC1CYP2C19
SCHEMBL4342422 0.80 SMN1; SMN2 (0.49) POLBMAPTMEN1KMT2ANPSR1
SCHEMBL4354694 0.78 MEN1 (0.68) POLBMAPTMEN1KMT2ANPSR1
SCHEMBL4350106 0.74 POLB (0.52) POLBMAPTMEN1KMT2ANPSR1
SCHEMBL6565598 0.74 SMN1; SMN2 (0.68) POLBMAPTMEN1KMT2ANPSR1
SCHEMBL4353169 0.73 ALDH1A1 (0.55) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6524252 0.73 NPC1 (0.43) POLBMAPTMEN1KMT2ANPSR1
SCHEMBL4348625 0.73 SMN1; SMN2 (0.71) POLBMAPTMEN1KMT2ANPSR1

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 4 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
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
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 (1 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 POLB 3571/4885MAPT 4439/4885MEN1 2168/4885

“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.