SCHEMBL399013

SCHEMBL399013

CC(C)(C)OC(=O)Nc1sccc1I

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PSMB8 P28062 1/20 0.38
CYP17A1 P05093 2/20 0.37
ATR Q13535 1/20 0.37
CA2 P00918 1/20 0.36
LCK P06239 1/20 0.36
PTK2 Q05397 1/20 0.36
NAMPT P43490 1/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL2928945 0.81 CA12 (0.45) METAP1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL9291119 0.81 METAP1 (0.50) METAP1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL399916 0.80 METAP1 (0.43) METAP1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL1703501 0.79 PTPN2 (0.58) METAP1MEN1KMT2ASMN1; SMN2PTK2
SCHEMBL395773 0.79 METAP1 (0.48) METAP1SMN1; SMN2CA1CA12CA9
SCHEMBL29951266 0.79 METAP1 (0.42) METAP1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL6969183 0.78 ALDH1A1 (0.44) METAP1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL1703720 0.78 KMT2A (0.66) MEN1KMT2ASMN1; SMN2ATR
SCHEMBL14291444 0.77 ALDH1A1 (0.42) METAP1MEN1KMT2ASMN1; SMN2CA1
SCHEMBL13116571 0.76 METAP1 (0.41) METAP1MEN1KMT2ASMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611895-A Arylamino derivative estrogen receptor modulators and uses thereof 四川海思科制药有限公司 2023-01-17 CN disclosed
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
EP-2268281-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS Abbott Laboratories (US) 2011-01-05 EP disclosed
WO-2009102462-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2009-08-20 WO disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
CN-100443487-C N-sulfonylheterocyclopyrrolylalkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2008-12-17 CN disclosed
EP-1648904-B1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-22 EP disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US disclosed
CN-1826346-A N-sulfonylheterocyclopyrrolylalkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-08-30 CN disclosed
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-20 US disclosed
US-7041695-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-05-09 US disclosed
EP-1648904-A1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-04-26 EP disclosed
US-20050038088-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-02-17 US disclosed
WO-2005012311-A1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-10 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 (4 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-20050038088-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A METAP1 898/4885MEN1 1479/4885KMT2A 2852/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO METAP1 933/4885MEN1 427/4885KMT2A 3648/4885
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents HRH2, HRH1, TSLP METAP1 873/4885MEN1 4412/4885KMT2A 3711/4885
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A METAP1 898/4885MEN1 1479/4885KMT2A 2852/4885

“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.