SCHEMBL3261622

SCHEMBL3261622

COc1ccc(OCC(C)=O)c(C(=O)Nc2ncc(Br)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.46
FBP1 P09467 1/20 0.44
NPC1 O15118 7/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
POLQ O75417 1/20 0.43
SETD1B Q9UPS6 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
KLF5 Q13887 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3258310 0.83 NPC1 (0.51) FBP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13524043 0.82 NPC1 (0.50) FBP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13524042 0.80 NPC1 (0.50) FBP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3263056 0.79 NPC1 (0.48) FBP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL343717 0.77 KCNMA1 (0.64) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3958980 0.74 STAT3 (0.45) LRRK2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3260074 0.74 STAT3 (0.47) FBP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13524024 0.73 LMNA (0.50) LRRK2FBP1NPC1RAB9ASMN1; SMN2
SCHEMBL6371508 0.72 KMT2A (0.58) FBP1NPC1RAB9AALDH1A1MEN1
SCHEMBL5835776 0.70 CCNE1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789040-A4 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LAB LC (US) 2009-09-02 EP claimed
US-7285567-B2 Halogenated benzamide derivatives ROMARK LABORATORIES, L.C. (US) 2007-10-23 US claimed
EP-1789040-A2 HALOGENATED BENZAMIDE DERIVATIVES Romark Laboratories, L.C. (US) 2007-05-30 EP claimed
US-20060089396-A1 Halogenated benzamide derivatives U.S. BANK NATIONAL ASSOCIATION 2006-04-27 US claimed
WO-2006031566-A2 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES, L.C. (US) 2006-03-23 WO claimed
EP-1789040-B1 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LAB LC (US) 2015-12-23 EP disclosed
US-7645783-B2 Halogenated benzamide derivatives ROMARK LABORATORIES L.C. (US) 2010-01-12 US disclosed
EP-1789040-A4 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LAB LC (US) 2009-09-02 EP disclosed
US-7550493-B2 Halogenated benzamide derivatives ROMARK LABORATORIES, LC (US) 2009-06-23 US disclosed
US-20080097106-A1 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES L.C. . (US) 2008-04-24 US disclosed
US-20080096941-A1 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES L.C. (US) 2008-04-24 US disclosed
US-7285567-B2 Halogenated benzamide derivatives ROMARK LABORATORIES, L.C. (US) 2007-10-23 US disclosed
EP-1789040-A2 HALOGENATED BENZAMIDE DERIVATIVES Romark Laboratories, L.C. (US) 2007-05-30 EP disclosed
US-20060089396-A1 Halogenated benzamide derivatives U.S. BANK NATIONAL ASSOCIATION 2006-04-27 US disclosed
WO-2006031566-A2 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES, L.C. (US) 2006-03-23 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 (3 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-20080097106-A1 HALOGENATED BENZAMIDE DERIVATIVES CBR3, CBR1, HDAC3 LRRK2 4229/4885FBP1 3380/4885NPC1 884/4885
US-20060089396-A1 Halogenated benzamide derivatives CBR3, CBR1, HDAC3 LRRK2 4201/4885FBP1 3177/4885NPC1 673/4885
US-20080096941-A1 HALOGENATED BENZAMIDE DERIVATIVES CBR3, H1-3, BCL3 LRRK2 4284/4885FBP1 3332/4885NPC1 725/4885

“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.