SCHEMBL4044405

SCHEMBL4044405

NC(=O)c1c(Cl)cccc1CNC[C@H](O)[CH]Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TXNRD1 Q16881 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
DNM1 Q05193 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FOLH1 Q04609 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL4041089 0.87 MEN1 (0.35) KDM4ESMN1; SMN2
SCHEMBL4043224 0.86 BCHE (0.35) FOLH1
SCHEMBL4038669 0.85 CD274 (0.38) ALDH1A1FFAR1FOLH1ITGB1ITGA4
SCHEMBL5720767 0.84 TXNRD1 (0.39) KDM4EALDH1A1TXNRD1POLB
SCHEMBL4041577 0.83 ALDH1A1 (0.38) KDM4EALDH1A1FFAR1L3MBTL1
SCHEMBL4047555 0.79 SIRT1 (0.38) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL4040092 0.77 RPS6KB1 (0.37) KDM4EALDH1A1L3MBTL1
SCHEMBL4045031 0.76 KDM1A (0.46) LMNAFOLH1CA2
SCHEMBL5219600 0.74 ANPEP (0.46) ALDH1A1DNM1LMNA
SCHEMBL4043818 0.74 BCHE (0.41) LMNA

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KDM4E 3911/4885ALDH1A1 4151/4885SMN1; SMN2 3546/4885

“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.