SCHEMBL4354239

SCHEMBL4354239

Oc1c(NC(=S)NCc2ccc(C(F)(F)F)cc2)ccc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.47
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
POLB P06746 3/20 0.45
MTOR P42345 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4348560 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4351491 0.84 ALOX12 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4347075 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4354452 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4341860 0.79 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4347495 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4348892 0.78 MAPT (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4351477 0.78 MAPT (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4359738 0.76 KMT2A (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4345508 0.75 KMT2A (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 MEN1 2168/4885KMT2A 2096/4885ALDH1A1 2565/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885KMT2A 1254/4885ALDH1A1 2767/4885

“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.