SCHEMBL10246030

SCHEMBL10246030

CC(C)(C)[Si](C)(C)OCC(=O)COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 8/20 0.49
NPC1 O15118 6/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.46
GBA1 P04062 1/20 0.46
MAPT P10636 2/20 0.45

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
SCHEMBL13086536 0.82 NPC1 (0.67) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL30467895 0.82 NPC1 (0.67) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL4894370 0.81 NPC1 (0.60) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL10246182 0.79 L3MBTL1 (0.59) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL2635654 0.78 ALDH1A1 (0.72) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL26263547 0.75 ALDH1A1 (0.56) ALDH1A1HTTKMT2AMEN1RAB9A
SCHEMBL1146176 0.75 ALDH1A1 (0.72) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL1613946 0.73 ALDH1A1 (0.74) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL29166987 0.73 ALDH1A1 (0.68) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL8109383 0.73 ALDH1A1 (0.68) ALDH1A1HTTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US 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 (5 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 ALDH1A1 958/4885HTT 3006/4885KMT2A 3631/4885
US-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 ALDH1A1 1980/4885HTT 3224/4885KMT2A 2506/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 863/4885HTT 2146/4885KMT2A 1309/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 ALDH1A1 2173/4885HTT 3957/4885KMT2A 3136/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 ALDH1A1 1956/4885HTT 3247/4885KMT2A 2533/4885

“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.