SCHEMBL1000233

SCHEMBL1000233

OC(c1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
CYP17A1 P05093 1/20 0.65
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 1/20 0.41
BRD4 O60885 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TBXAS1 P24557 1/20 0.39

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
SCHEMBL1242879 0.86 SMN1; SMN2 (0.87) SMN1; SMN2CYP17A1GAATSHRLMNA
SCHEMBL30476558 0.84 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1GAATSHRLMNA
SCHEMBL477393 0.84 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1GAATSHRLMNA
SCHEMBL30476552 0.84 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1GAATSHRLMNA
SCHEMBL477633 0.84 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1GAATSHRLMNA
SCHEMBL28001042 0.84 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1GAATSHRLMNA
SCHEMBL11062714 0.83 CYP17A1 (0.90) SMN1; SMN2CYP17A1GAATSHRLMNA
SCHEMBL18228789 0.82 SMN1; SMN2 (0.81) SMN1; SMN2CYP17A1GAATSHRLMNA
Hydrochloric Acid SCHEMBL11062404 0.81 CYP17A1 (0.87) SMN1; SMN2CYP17A1GAATSHRLMNA
SCHEMBL31090354 0.81 SMN1; SMN2 (0.72) SMN1; SMN2CYP17A1GAATSHRLMNA

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-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP disclosed
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK SMN1; SMN2 4437/4885CYP17A1 1561/4885GAA 115/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A SMN1; SMN2 1070/4885CYP17A1 4033/4885GAA 3295/4885

“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.