SCHEMBL2820801

SCHEMBL2820801

Fc1ccccc1-c1c[nH]nn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
NPC1 O15118 4/20 0.42
MPL P40238 1/20 0.42
ALDH1A1 P00352 2/20 0.39
NOTUM Q6P988 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
DCUN1D1 Q96GG9 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
MAP4K1 Q92918 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
SCHEMBL2197897 0.85 ALDH1A1 (0.38) IDO1NPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL31393744 0.77 ALPL (0.43) IDO1NPC1RAB9A
SCHEMBL11246560 0.76 GAA (0.47) IDO1NPC1ALDH1A1NOTUMKDM4E
SCHEMBL5612891 0.76 PBRM1 (0.47) IDO1NPC1ALDH1A1KDM4EDCUN1D1
SCHEMBL1822947 0.76 ALDH1A1 (0.52) IDO1NPC1ALDH1A1KDM4EDCUN1D1
SCHEMBL207829 0.76 IDO1 (0.47) IDO1ALDH1A1KDM4EDCUN1D1CASP3
SCHEMBL8781512 0.76 F2 (0.33) ALDH1A1L3MBTL1
SCHEMBL5612902 0.76 AKT1 (0.41) NPC1ALDH1A1DCUN1D1NISCHRAB9A
SCHEMBL6252050 0.76 IDO1 (0.39) IDO1NPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL20849 0.76 GAA (0.47) IDO1NPC1ALDH1A1NOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US claimed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US claimed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP claimed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
WO-2016210239-A1 METHODS OF IDENTIFYING NOVEL ANTIBIOTICS USING IN SITU CLICK CHEMISTRY TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-12-29 WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20070077641-A1 Methionine aminopeptidase and methods of use PALMER LESLIE 2007-04-05 US disclosed
EP-1624849-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-15 EP disclosed
WO-2005016237-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 IDO1 1506/4885NPC1 206/4885MPL 3451/4885
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP IDO1 194/4885NPC1 4203/4885MPL 1990/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP IDO1 530/4885NPC1 2301/4885MPL 2408/4885
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 IDO1 1192/4885NPC1 989/4885MPL 4772/4885

“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.