SCHEMBL4351089

SCHEMBL4351089

Cc1ccccc1CNC(=S)Nc1cc(Cl)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
ALOX12 P18054 5/20 0.64
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KCNMA1 Q12791 1/20 0.52
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PPARG P37231 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
POLB P06746 1/20 0.48
MCHR1 Q99705 1/20 0.47

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
SCHEMBL4349972 0.85 RAB9A (0.66) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL4347019 0.84 ALOX12 (0.59) LMNAALOX12MAPTSMN1; SMN2ALDH1A1
SCHEMBL4351334 0.81 SMN1; SMN2 (0.69) LMNAALOX12MAPTSMN1; SMN2ALDH1A1
SCHEMBL7551695 0.81 ALDH1A1 (0.68) LMNAALOX12MAPTSMN1; SMN2ALDH1A1
SCHEMBL4357807 0.80 MAPT (0.54) LMNAALOX12MAPTSMN1; SMN2ALDH1A1
SCHEMBL4349820 0.79 ALOX12 (0.56) LMNAALOX12MAPTSMN1; SMN2ALDH1A1
SCHEMBL4347975 0.79 ALOX12 (0.51) LMNAALOX12MAPTSMN1; SMN2ALDH1A1
SCHEMBL4351417 0.78 MEN1 (0.70) LMNAALOX12MAPTSMN1; SMN2ALDH1A1
SCHEMBL4350883 0.78 MEN1 (0.59) LMNAALOX12MAPTSMN1; SMN2ALDH1A1
SCHEMBL4348819 0.76 MEN1 (0.54) LMNAALOX12MAPTSMN1; SMN2ALDH1A1

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 6 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-100546977-C Suppress the new compound and the application thereof of rotamase JERINI AG (DE) 2009-10-07 CN 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 LMNA 3160/4885ALOX12 1546/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885ALOX12 1994/4885MAPT 4184/4885

“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.