SCHEMBL406876

SCHEMBL406876

N#Cc1ccc(Cl)c(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.44
KCNH2 Q12809 3/20 0.43
SLC6A4 P31645 3/20 0.43
HTR2A P28223 2/20 0.43
SLC6A3 Q01959 1/20 0.41
S100A9 P06702 1/20 0.40
GSK3B P49841 2/20 0.36
AR P10275 2/20 0.36
HSD11B1 P28845 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
S1PR1 P21453 1/20 0.34
SLC5A2 P31639 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL30353359 1.00 VCAM1 (0.44) VCAM1KCNH2SLC6A4HTR2ASLC6A3
SCHEMBL28797364 0.85 VCAM1 (0.42) VCAM1KCNH2SLC6A4HTR2ASLC6A3
SCHEMBL533946 0.84 ALDH1A1 (0.42) VCAM1KCNH2SLC6A4HTR2ASLC6A3
SCHEMBL28773621 0.82 VCAM1 (0.46) VCAM1KCNH2SLC6A4HTR2ASLC6A3
SCHEMBL3872780 0.81 GSK3B (0.39) KCNH2SLC6A4HTR2ASLC6A3GSK3B
SCHEMBL31487832 0.80 LOXL2 (0.47) VCAM1KCNH2SLC6A4HTR2ASLC6A3
SCHEMBL16235423 0.80 VCAM1 (0.44) VCAM1KCNH2SLC6A4HTR2ASLC6A3
SCHEMBL13361797 0.80 VCAM1 (0.49) VCAM1KCNH2SLC6A4HTR2ASLC6A3
SCHEMBL1232330 0.78 MEN1 (0.39) GSK3BMAOAMAOBCA1CA2
SCHEMBL27552968 0.78 GSK3B (0.37) KCNH2SLC6A4HTR2ASLC6A3GSK3B

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 WO disclosed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
US-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-11-13 US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
US-8470859-B2 Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
EP-2535330-A2 Iminopyridine derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2012-12-19 EP disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed
US-20100016315-A1 Iminopyridine Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2077262-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-08 EP 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 (7 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-20100016315-A1 Iminopyridine Derivative and Use Thereof ADRA1D, ADRB1, ADRB2 VCAM1 459/4885KCNH2 1292/4885SLC6A4 646/4885
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE ARRB1, NR3C2, TRPC6 VCAM1 4028/4885KCNH2 221/4885SLC6A4 2139/4885
US-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors S100A9, S100B, S100A10 VCAM1 352/4885KCNH2 4529/4885SLC6A4 1517/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 VCAM1 352/4885KCNH2 4529/4885SLC6A4 1517/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB VCAM1 301/4885KCNH2 1321/4885SLC6A4 4250/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB VCAM1 301/4885KCNH2 1321/4885SLC6A4 4250/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B VCAM1 361/4885KCNH2 4533/4885SLC6A4 1957/4885

“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.