SCHEMBL1010754

SCHEMBL1010754

CCOC(=O)c1cnc(NC2C3CNCC32)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
P2RY12 Q9H244 4/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
ACACB O00763 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
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
Trifluoroacetic Acid SCHEMBL1010045 0.92 S1PR1 (0.36) PCSK9S1PR1S1PR3CYP2C9CYP2C19
SCHEMBL12723444 0.83 ACACB (0.40) PCSK9S1PR1S1PR3CYP2C9CYP2C19
SCHEMBL1012011 0.81 P2RY12 (0.42) CYP2C9CYP2C19P2RY12RAB9AACACB
SCHEMBL16048538 0.79 HDAC3 (0.49) PCSK9CYP2C9CYP2C19RAB9APOLB
SCHEMBL17830863 0.79 HDAC1 (0.44) PCSK9RAB9APOLBPDE4BMAPT
SCHEMBL1012529 0.77 ATM (0.44) P2RY12POLBMEN1THRBKMT2A
SCHEMBL17832703 0.73 NOS2 (0.47)
SCHEMBL30807478 0.73 ENPP2 (0.49) PCSK9P2RY12RAB9ANPC1MEN1
SCHEMBL20564983 0.73 ENPP2 (0.49) PCSK9P2RY12RAB9ANPC1MEN1
SCHEMBL12939730 0.72 PTGER4 (0.46) RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
EP-1881977-A1 HISTONE DEACETYLASE INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-30 EP disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 WO disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 PCSK9 4439/4885S1PR1 4167/4885S1PR3 4386/4885

“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.