SCHEMBL3141763

SCHEMBL3141763

O=C(/C=C/c1ccn(S(=O)(=O)c2ccc(-c3ccc(CN4CCOCC4)cc3)s2)c1)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
CCNC P24863 4/20 0.34
CDK8 P49336 4/20 0.34
CAPN1 P07384 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL3141774 1.00 RAB9A (0.37) RAB9ASMN1; SMN2LMNAMAPK1KDM4E
SCHEMBL3145958 0.94 CAPN1 (0.40) RAB9ALMNAALDH1A1CAPN1HDAC1
SCHEMBL3145943 0.94 CAPN1 (0.40) RAB9ALMNAALDH1A1CAPN1HDAC1
SCHEMBL3145671 0.93 HDAC1 (0.33) MAPTHDAC1HDAC6HDAC3HDAC8
SCHEMBL3145661 0.93 HDAC1 (0.33) MAPTHDAC1HDAC6HDAC3HDAC8
SCHEMBL3133216 0.89 CA12 (0.35) MAPTHDAC1HDAC6HDAC3HDAC8
SCHEMBL3133210 0.89 CA12 (0.35) MAPTHDAC1HDAC6HDAC3HDAC8
SCHEMBL3146137 0.89 BMPR1B (0.39) MAPT
SCHEMBL3146145 0.89 BMPR1B (0.39) MAPT
SCHEMBL1360938 0.88 HDAC1 (0.45) RAB9ASMN1; SMN2LMNAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 US disclosed
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 US disclosed
US-7666868-B2 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders 4SC AG (DE) 2010-02-23 US disclosed
EP-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 EP disclosed
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders NYCOMED GMBH (DE) 2008-07-24 US disclosed
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP disclosed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 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-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders HDAC1, H1-3, HDAC2 RAB9A 3521/4885SMN1; SMN2 2594/4885LMNA 2847/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 RAB9A 2473/4885SMN1; SMN2 2017/4885LMNA 3994/4885

“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.