SCHEMBL6237841

SCHEMBL6237841

O=c1oc(=O)n(CCc2cccs2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
ASAH1 Q13510 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
PTK2B Q14289 1/20 0.40

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
SCHEMBL11877823 0.87 MEN1 (0.48) HDAC1HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL6236721 0.79 ALDH1A1 (0.67) HDAC8HDAC6ALDH1A1TSHRMAPK1
SCHEMBL6234141 0.78 ALDH1A1 (0.47) CNR1CNR2ALDH1A1TSHRMAPK1
SCHEMBL5263281 0.77 PGR (0.50) CNR2ALDH1A1TSHRMAPK1LMNA
SCHEMBL6236243 0.75 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1LMNANPSR1
SCHEMBL11389425 0.75 ALDH1A1 (0.51) ALDH1A1TSHRNPSR1USP2HPGD
SCHEMBL1061987 0.75 PGR (0.60) ALDH1A1LMNANPSR1HPGDPOLB
SCHEMBL11688278 0.75 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1LMNANPSR1
SCHEMBL17208786 0.75 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1LMNANPSR1
SCHEMBL8799962 0.74 TAAR1 (0.50) HDAC1HDAC11HDAC8HDAC6CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 HDAC1 1765/4885HDAC11 2346/4885HDAC8 2305/4885

“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.