SCHEMBL5442147

SCHEMBL5442147

CN(C)Cc1cc2ccc(C(=O)NN)cc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.61
HDAC3 O15379 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 1/20 0.61
CYP2D6 P10635 2/20 0.43
PIN1 Q13526 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ACKR3 P25106 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL5438487 0.90 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5438655 0.84 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5453441 0.83 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
Oxalic Acid SCHEMBL5444728 0.80 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19029094 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5440808 0.75 TP53 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19029312 0.72 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL446323 0.71 HDAC6 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21352507 0.70 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL21352506 0.70 HDAC6 (0.84) HDAC6HDAC3HDAC1HDAC2HDAC8

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-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
EP-1723126-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
WO-2005040157-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-05-06 WO 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-20070135485-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R HDAC6 1655/4885HDAC3 2603/4885HDAC1 2127/4885

“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.