SCHEMBL2005454

SCHEMBL2005454

Cc1ccccc1-c1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
METAP2 P50579 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 6/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C19 P33261 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 5/20 0.41
HSD17B10 Q99714 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ALOX15 P16050 1/20 0.41
PTGES O14684 1/20 0.40
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL10112750 0.82 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2TSHRMAPK1
SCHEMBL8227859 0.80 CCR1 (0.60) IDO1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL3424160 0.79 IDO1 (0.55) IDO1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL15583204 0.78 CCR1 (0.42) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL24185319 0.77 KDM4E (0.37) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL2407760 0.77 NPC1 (0.53) IDO1NPC1RAB9ASMN1; SMN2PTGES
SCHEMBL31370733 0.77 IDO1 (0.47) IDO1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL27795031 0.77 KDM1A (0.51) IDO1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL14635903 0.77 IDO1 (0.46) IDO1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL8272468 0.77 IDO1 (0.46) IDO1METAP2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022208382-A1 NOVEL DIALKOXYNAPHTHO[2,3-C]FURAN-1(3H)-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESPIRATORY DISEASE OR SARS-COV-2 INFECTION DISEASE, COMPRISING SAME 동화약품주식회사 2022-10-06 WO disclosed
US-11031562-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
WO-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 WO disclosed
CN-101010339-B Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO 2011-11-09 CN disclosed
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US disclosed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 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 (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-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP IDO1 2280/4885METAP2 489/4885NPC1 3257/4885
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP IDO1 1926/4885METAP2 605/4885NPC1 2750/4885
US-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 IDO1 2752/4885METAP2 2129/4885NPC1 3647/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR IDO1 2798/4885METAP2 2316/4885NPC1 1052/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR IDO1 2798/4885METAP2 2316/4885NPC1 1052/4885

“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.