SCHEMBL4930779

SCHEMBL4930779

COC(=O)CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMBR P28336 10/20 0.58
TACR1 P25103 1/20 0.55
TACR3 P29371 1/20 0.52
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
NCOR2 Q9Y618 3/20 0.51
LMNA P02545 1/20 0.49
MAPT P10636 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
SCHEMBL4930789 1.00 NMBR (0.58) NMBRTACR1TACR3HDAC3HDAC1
SCHEMBL6013894 0.90 NMBR (0.61) NMBRTACR1TACR3MAPT
SCHEMBL3795866 0.87 NMBR (0.68) NMBRLMNAMAPT
SCHEMBL9088692 0.86 NMBR (0.72) NMBRTACR1TACR3MAPT
SCHEMBL30074815 0.84 KMT2A (0.58) NMBRTACR1MAPT
SCHEMBL6020259 0.84 NMBR (0.58) NMBRTACR1TACR3LMNAMAPT
SCHEMBL6020248 0.83 CTSL (0.67) NMBRTACR1TACR3LMNAMAPT
SCHEMBL16915248 0.82 NMBR (0.58) NMBRTACR1TACR3MAPT
SCHEMBL8226837 0.82 NMBR (0.52) NMBRTACR1TACR3LMNAMAPT
SCHEMBL119372 0.81 ALOX15 (0.56) NMBR

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-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
EP-1685094-A4 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S BIO PTE LTD (SG) 2007-08-22 EP disclosed
EP-1685094-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*Bio Pte Ltd (SG) 2006-08-02 EP disclosed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 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-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates HDAC1, HDAC3, HDAC4 NMBR 3240/4885TACR1 4185/4885TACR3 3504/4885

“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.