SCHEMBL4922980

SCHEMBL4922980

COC(=O)N(CCCCCC(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
SLC6A3 Q01959 2/20 0.40
HTR2C P28335 1/20 0.40
KDM4A O75164 3/20 0.38
KDM4C Q9H3R0 3/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL5840878 1.00 KMT2A (0.47) KMT2ASLC6A3HTR2CKDM4AKDM4C
SCHEMBL1001580 0.99 KMT2A (0.45) KMT2ASLC6A3HTR2CKDM4AKDM4C
SCHEMBL16718185 0.95 KMT2A (0.43) KMT2ASLC6A3HTR2CLTA4HCYP2D6
SCHEMBL3202976 0.91 KMT2A (0.40) KMT2ASLC6A3MAPTHDAC3HDAC4
SCHEMBL31355071 0.91 KMT2A (0.40) KMT2ASLC6A3MAPTHDAC3HDAC4
SCHEMBL28287654 0.87 BCHE (0.40) CDC25ASLC22A2SLC22A3
SCHEMBL258987 0.85 KMT2A (0.37) KMT2ASLC6A3KDM4AKDM4CLTA4H
SCHEMBL28900959 0.84 CYP2D6 (0.39) KMT2ASLC6A3MAPTHDAC3HDAC4
SCHEMBL27486738 0.83 SLC22A2 (0.38) KMT2ASLC6A3HDAC3HDAC4HDAC7
SCHEMBL2173884 0.82 ALDH1A1 (0.39) KMT2ASLC6A3ALDH1A1LTA4HCYP2D6

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
EP-1685094-A4 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S BIO PTE LTD (SG) 2007-08-22 EP disclosed
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 US disclosed
CN-1898227-A As prostaglandin E2Ornithine derivatives as agonists or antagonists ASTELLAS PHARMA INC (JP) 2007-01-17 CN 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 (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-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates HDAC1, HDAC3, HDAC4 KMT2A 105/4885SLC6A3 2251/4885HTR2C 4068/4885
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 KMT2A 1128/4885SLC6A3 2361/4885HTR2C 905/4885

“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.