SCHEMBL6519124

SCHEMBL6519124

O=C(NCCc1ccccc1)Nc1cc(-c2nc3ccccc3s2)cc(Cl)c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 5/20 0.47
TRPV1 Q8NER1 1/20 0.46
NAMPT P43490 1/20 0.46
MAOB P27338 1/20 0.45
SNCA P37840 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MGLL Q99685 4/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6524162 0.90 NAMPT (0.57) MAPTLMNATP53NAMPTSMN1; SMN2
SCHEMBL12846654 0.89 MAPT (0.49) MAPTLMNATP53SMN1; SMN2KDM4E
SCHEMBL4350091 0.86 MAPT (0.53) MAPTLMNATP53SMN1; SMN2MGLL
SCHEMBL6566878 0.84 MAPT (0.53) MAPTTP53NAMPTSMN1; SMN2MGLL
SCHEMBL4347124 0.83 EPHX2 (0.48) MAPTTP53NAMPTMAOBSNCA
SCHEMBL4505884 0.81 TP53 (0.52) MAPTLMNATP53SMN1; SMN2MGLL
SCHEMBL6669888 0.81 GAA (0.51) MAPTLMNATP53SMN1; SMN2MGLL
SCHEMBL12846731 0.80 MAPT (0.50) MAPTLMNATP53NAMPTSMN1; SMN2
SCHEMBL6568583 0.80 ALOX5 (0.58) MAPTLMNATP53SMN1; SMN2MGLL
SCHEMBL6526530 0.80 MAPT (0.51) MAPTLMNATP53SMN1; SMN2KDM4E

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
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed

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 MAPT 4439/4885LMNA 3160/4885TP53 4868/4885

“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.