SCHEMBL4347357

SCHEMBL4347357

Oc1ccc(NC(=S)NC2CCCCC2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.62
LMNA P02545 7/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 6/20 0.62
HTT P42858 3/20 0.62
ALOX12 P18054 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
RAB9A P51151 6/20 0.59
GAA P10253 3/20 0.59
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
BLM P54132 1/20 0.56
NPC1 O15118 4/20 0.56
POLB P06746 2/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL4341983 0.84 SMN1; SMN2 (0.55) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4350019 0.83 SMN1; SMN2 (0.79) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4352171 0.83 RAB9A (0.79) SMN1; SMN2MEN1KMT2AHTTRAB9A
SCHEMBL28756963 0.81 SMN1; SMN2 (0.83) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4347666 0.80 ALDH1A1 (0.57) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4344460 0.78 MEN1 (0.57) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL11845603 0.77 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL11149053 0.74 SMN1; SMN2 (0.97) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL11697622 0.74 NPSR1 (1.00) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL3876288 0.74 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMEN1KMT2AMAPT

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
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
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 SMN1; SMN2 1791/4885LMNA 3160/4885MEN1 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.