SCHEMBL346733

SCHEMBL346733

N#Cc1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD3 P35462 2/20 0.41
PNMT P11086 1/20 0.41
IDO1 P14902 6/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
ADRB3 P13945 1/20 0.39
HDAC1 Q13547 2/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL346649 0.83 FFAR1 (0.49)
SCHEMBL23552324 0.82 MCHR1 (0.41) DRD2DRD3PNMT
SCHEMBL345335 0.82 MTNR1A (0.43) DRD2DRD3PNMTADRB3NAMPT
SCHEMBL10259280 0.78 HDAC8 (0.39) IDO1HDAC8HDAC6ADRB3
SCHEMBL4781122 0.77 DRD2 (0.43) DRD2DRD3PNMT
SCHEMBL22070903 0.76 KDM4E (0.40) DRD2DRD3PNMT
SCHEMBL10197703 0.76 PARP1 (0.46) HDAC8HDAC6
SCHEMBL366547 0.76 P2RX7 (0.55)
SCHEMBL346900 0.75 GHSR (0.46) DRD2DRD3HDAC8HDAC6
SCHEMBL10197710 0.75 ACHE (0.36) HDAC8HDAC6

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 DRD2 2431/4885DRD3 2545/4885PNMT 4631/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 DRD2 1767/4885DRD3 1694/4885PNMT 4096/4885

“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.