SCHEMBL13738422

SCHEMBL13738422

O=C(Nc1ccc(Br)c(OC[C@H]2CCN2)c1C(=O)O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 3/20 0.39
KDM1A O60341 3/20 0.39
MAOA P21397 2/20 0.39
RCOR1 Q9UKL0 2/20 0.39
CASP3 P42574 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
CHRM3 P20309 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL15514972 1.00 NPC1 (0.41) NPC1RAB9AMAOBKDM1AMAOA
SCHEMBL13738146 0.88 NPC1 (0.39) NPC1RAB9AMAOBKDM1AMAOA
SCHEMBL15514426 0.88 NPC1 (0.39) NPC1RAB9AMAOBKDM1AMAOA
SCHEMBL28828001 0.77 NPC1 (0.37) NPC1RAB9AMAOBCASP3CHRNB2
SCHEMBL13737202 0.75 NPC1 (0.53) NPC1RAB9AMAOBCASP3HTT
SCHEMBL13737147 0.72 NPC1 (0.37) NPC1RAB9AMAOBKDM1AMAOA
SCHEMBL13827047 0.71 MEN1 (0.38) NPC1RAB9AHTTL3MBTL1TSHR
SCHEMBL13736712 0.71 NPC1 (0.46) NPC1RAB9ACASP3LMNA
SCHEMBL20326798 0.69 NPC1 (0.52) NPC1RAB9AMAOBCASP3HTT
SCHEMBL5945338 0.68 NPC1 (0.56) NPC1RAB9AMAOBCASP3HTT

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-9561230-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2017-02-07 US disclosed
US-20160256469-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2016-09-08 US disclosed
US-9187494-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2015-11-17 US disclosed
EP-2705036-B1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2015-08-12 EP disclosed
US-20140073623-A1 Tricyclic Sulfonamide Compounds and Methods of Making and Using Same ZAFGEN, INC. (US) 2014-03-13 US disclosed
EP-2705036-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
WO-2012154678-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 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-20140073623-A1 Tricyclic Sulfonamide Compounds and Methods of Making and Using Same DNPEP, METAP2, ANPEP NPC1 2178/4885RAB9A 4404/4885MAOB 731/4885
US-20160256469-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, METAP2, ANPEP NPC1 2178/4885RAB9A 4404/4885MAOB 731/4885

“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.