SCHEMBL6524162

SCHEMBL6524162

O=C(NCc1ccccc1)Nc1cc(-c2nc3ccccc3s2)cc(Cl)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.57
MAPT P10636 8/20 0.53
RAB9A P51151 7/20 0.53
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MGLL Q99685 1/20 0.50
TP53 P04637 2/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
NOD2 Q9HC29 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
SCHEMBL6519124 0.90 MAPT (0.47) NAMPTMAPTRAB9AKDM4ENPC1
SCHEMBL12846731 0.88 MAPT (0.50) NAMPTMAPTRAB9AKDM4ENPC1
SCHEMBL6566878 0.85 MAPT (0.53) NAMPTMAPTRAB9AKDM4ENPC1
SCHEMBL4350091 0.84 MAPT (0.53) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL4505884 0.83 TP53 (0.52) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL4344552 0.82 NAMPT (0.57) NAMPTMAPTRAB9AKDM4ENPC1
SCHEMBL6568583 0.82 ALOX5 (0.58) MAPTSMN1; SMN2LMNAMGLLTP53
SCHEMBL6526530 0.82 MAPT (0.51) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL6568636 0.81 KDM4E (0.49) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL12846654 0.80 MAPT (0.49) MAPTRAB9AKDM4ENPC1SMN1; 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 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 NAMPT 4392/4885MAPT 4439/4885RAB9A 4228/4885

“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.