SCHEMBL346576

SCHEMBL346576

O=C(NO)C1CCc2ccc(CCc3ccccc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.44
DRD3 P35462 4/20 0.44
DRD2 P14416 3/20 0.44
HDAC1 Q13547 2/20 0.42
GHSR Q92847 1/20 0.41
MMP8 P22894 3/20 0.40
MMP13 P45452 2/20 0.40
MMP3 P08254 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
MMP12 P39900 1/20 0.39
DRD4 P21917 1/20 0.39
P2RX7 Q99572 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
SCHEMBL346615 0.84 DRD3 (0.46) GRIN2BDRD3DRD2
SCHEMBL10197642 0.81 FAAH (0.58) MMP2MMP9MMP1MMP7MMP12
SCHEMBL10260016 0.80 FAAH (0.51) HDAC1GHSR
SCHEMBL461316 0.79 MCHR1 (0.45) DRD3DRD2GHSRMMP13MMP2
SCHEMBL366547 0.79 P2RX7 (0.55) GHSRP2RX7
SCHEMBL346164 0.78 KMT2A (0.48) HDAC1GHSRP2RX7
SCHEMBL459845 0.78 FAAH (0.49) HDAC1GHSR
SCHEMBL346639 0.78 HTR2C (0.36) DRD3DRD2
SCHEMBL435715 0.78 MEN1 (0.40) HDAC1
SCHEMBL461276 0.77 CA1 (0.52) MMP13

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 7 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
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
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 GRIN2B 42/4885DRD3 2545/4885DRD2 2431/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GRIN2B 117/4885DRD3 1694/4885DRD2 1767/4885

“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.