SCHEMBL6636056

SCHEMBL6636056

CCCCNNC(=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.65
HDAC1 Q13547 8/20 0.65
HDAC2 Q92769 7/20 0.65
PLK1 P53350 1/20 0.55
HDAC8 Q9BY41 3/20 0.54
NCOR2 Q9Y618 1/20 0.54
MMP3 P08254 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DEGS1 O15121 1/20 0.49

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
SCHEMBL6637930 0.94 HDAC1 (0.58) HDAC3HDAC1HDAC2PLK1HDAC8
SCHEMBL1093718 0.85 TSHR (0.73) HDAC3HDAC1HDAC2PLK1HDAC8
SCHEMBL30301313 0.85 TSHR (0.73) HDAC3HDAC1HDAC2PLK1HDAC8
SCHEMBL6635281 0.84 PLK1 (0.62) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL14058606 0.81 TSHR (0.66) PLK1HDAC8MMP3CNR1CNR2
SCHEMBL27295235 0.81 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6634756 0.80 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL1286894 0.79 NAAA (0.67) PLK1HDAC8MMP3CNR1CNR2
SCHEMBL27801490 0.79 NAAA (0.67) PLK1HDAC8MMP3CNR1CNR2
SCHEMBL3238026 0.79 NAAA (0.67) PLK1HDAC8MMP3CNR1CNR2

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-10870618-B2 Histone deacetylase inhibitors and uses thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2020-12-22 US disclosed
US-10870618-B2 Histone deacetylase inhibitors and uses thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2020-12-22 US disclosed
US-20190308932-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF MEDICAL UNIVERSITY OF SOUTH CAROLINA 2019-10-10 US disclosed
US-20190308932-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF MEDICAL UNIVERSITY OF SOUTH CAROLINA 2019-10-10 US disclosed
EP-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6380288-B1 LOW HEAT GENERATION PROPERTY, AGING REISTANCE, ALSO FOR PRODUCING VIBRATION ISOLATORS, BELTS AND HOSES AS WELL AS TIRE MATERIALS SUCH AS TIRE TREADS, UNDERTREADS, CARCASSES, SIDE WALLS AND BEADS BRIDGESTONE CORPORATION 2002-04-30 US disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP 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-10870618-B2 Histone deacetylase inhibitors and uses thereof HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 7/4885
US-20190308932-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 7/4885

“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.