SCHEMBL12672467

SCHEMBL12672467

O=C(CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCNC(=O)OCc1ccccc1)NO

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.87
MMP9 P14780 1/20 0.68
MMP8 P22894 1/20 0.68
NMBR P28336 4/20 0.67
MMP1 P03956 2/20 0.59
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
MAPT P10636 2/20 0.59
CA2 P00918 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL1233776 0.89 BMP1 (0.68) BMP1NMBRMMP1HDAC3HDAC4
SCHEMBL1232450 0.89 BMP1 (0.85) BMP1MMP9MMP8NMBRMAPT
SCHEMBL1231685 0.89 BMP1 (0.85) BMP1MMP9MMP8NMBRMAPT
SCHEMBL1231836 0.88 BMP1 (0.70) BMP1MMP9MMP8NMBRMAPT
SCHEMBL1233381 0.88 BMP1 (0.70) BMP1MMP9MMP8NMBRMAPT
SCHEMBL2417077 0.88 NMBR (0.85) BMP1NMBRMAPTCA2GAA
SCHEMBL2370248 0.88 NMBR (0.85) BMP1NMBRMAPTCA2GAA
SCHEMBL2382050 0.88 NMBR (0.85) BMP1NMBRMAPTCA2GAA
SCHEMBL2420021 0.88 NMBR (0.85) BMP1NMBRMAPTCA2GAA
SCHEMBL2421029 0.88 NMBR (0.85) BMP1NMBRMAPTCA2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 BMP1 3543/4885MMP9 853/4885MMP8 684/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 BMP1 3172/4885MMP9 1439/4885MMP8 996/4885

“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.