SCHEMBL346945

SCHEMBL346945

COc1ccc2c(c1)CC(C)(C(=O)NO)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
PRNP P04156 1/20 0.43
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
CXCR5 P32302 1/20 0.42
POLA1 P09884 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 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
SCHEMBL346235 0.86 SMN1; SMN2 (0.56) ADRA2ASMN1; SMN2PRNPMTNR1AMTNR1B
SCHEMBL8768170 0.85 ADRA2A (0.48) ADRA2ASMN1; SMN2PRNPMTNR1AMTNR1B
SCHEMBL345897 0.84 MMP1 (0.49) HDAC1HDAC6MMP1MMP9MMP13
SCHEMBL461033 0.78 PIP4K2A (0.40) SMN1; SMN2MMP1MMP9MMP13
SCHEMBL3307587 0.74 SMN1; SMN2 (0.52) ADRA2ASMN1; SMN2MTNR1AMTNR1BCXCR5
SCHEMBL8767298 0.74 SMN1; SMN2 (0.44) ADRA2ASMN1; SMN2PRNPMTNR1AMTNR1B
SCHEMBL345064 0.72 SMN1; SMN2 (0.42) SMN1; SMN2HDAC1MMP1MMP9MMP13
SCHEMBL6802615 0.71 ADRA2A (0.58) ADRA2ASMN1; SMN2PRNP
SCHEMBL19469587 0.70 SMN1; SMN2 (0.69) ADRA2ASMN1; SMN2MTNR1AMTNR1BPOLA1
SCHEMBL19469584 0.70 SMN1; SMN2 (0.69) ADRA2ASMN1; SMN2MTNR1AMTNR1BPOLA1

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 ADRA2A 1340/4885SMN1; SMN2 567/4885HDAC1 2/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ADRA2A 642/4885SMN1; SMN2 1515/4885HDAC1 4/4885

“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.