SCHEMBL1939814

SCHEMBL1939814

CC(=O)N(Br)c1ccccc1N(Br)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSPO P30536 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ AKR1C3 P42330 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ NAPRT Q6XQN6 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL4771853 0.85 GAA (0.39) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL11083920 0.85 GAA (0.39) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL15513489 0.83 GAA (0.38) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL9360259 0.83 ALDH1A1 (0.48) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL28317409 0.82 SIGMAR1 (0.50) GAAALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL27380444 0.82 GABRA1 (0.41) GAASMN1; SMN2TSHRTSPOLMNA
SCHEMBL27377820 0.79 LMNA (0.41) GAAALDH1A1MAPTTSPOLMNA
SCHEMBL5167275 0.78 NPSR1 (0.46) SMN1; SMN2ALDH1A1TSHRTP53AKR1C3
SCHEMBL28245573 0.74 ALOX5 (0.46) GAAALDH1A1MAPTLMNAKMT2A
SCHEMBL21513960 0.74 GAA (0.70) GAASMN1; SMN2ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9176127-B2 Method for selecting a candidate drug compound PEPSCAN SYSTEMS B.V. (NL) 2015-11-03 — — US disclosed
US-20140308303-A1 METHOD FOR SELECTING A CANDIDATE DRUG COMPOUND PEPSCAN SYSTEMS B.V. (NL) 2014-10-16 — — US disclosed
US-20140296478-A1 METHOD FOR SELECTING A CANDIDATE DRUG COMPOUND PEPSCAN SYSTEMS B.V. (NL) 2014-10-02 — — US disclosed
EP-1844337-B1 BINDING COMPOUNDS, IMMUNOGENIC COMPOUNDS AND PEPTIDOMIMETICS PEPSCAN SYSTEMS BV (NL) 2013-07-03 — — EP disclosed
EP-1597585-B1 METHOD FOR SELECTING A CANDIDATE DRUG COMPOUND PEPSCAN SYSTEMS BV (NL) 2011-06-15 — — EP disclosed
US-20100322945-A1 IMMUNOGENIC COMPOUNDS AND PROTEIN MIMICS PEPSCAN SYSTEMS B.V. (NL) 2010-12-23 — — US disclosed
EP-2052253-A2 IMMUNOGENIC COMPOUNDS AND PROTEIN MIMICS PEPSCAN SYSTEMS B.V. (NL) 2009-04-29 — — EP disclosed
US-20080313749-A1 Binding Compounds, Immunogenic Compounds and Peptidomimetics PEPSCAN SYSTEMS B.V. (NL) 2008-12-18 — — US disclosed
WO-2008013454-A2 IMMUNOGENIC COMPOUNDS AND PROTEIN MIMICS PEPSCAN SYSTEMS B.V. (NL) 2008-01-31 — — WO disclosed
EP-1844337-A1 BINDING COMPOUNDS, IMMUNOGENIC COMPOUNDS AND PEPTIDOMIMETICS PEPSCAN SYSTEMS B.V. (NL) 2007-10-17 — — EP disclosed
WO-2006078161-A1 BINDING COMPOUNDS, IMMUNOGENIC COMPOUNDS AND PEPTIDOMIMETICS PEPSCAN SYSTEMS B.V. (NL) 2006-07-27 — — WO disclosed
EP-1597585-A2 METHOD FOR SELECTING A CANDIDATE DRUG COMPOUND PEPSCAN SYSTEMS B.V. (NL) 2005-11-23 — — EP disclosed
WO-2004077062-A2 METHOD FOR SELECTING A CANDIDATE DRUG COMPOUND PEPSCAN SYSTEMS B.V. (NL) 2004-09-10 — — 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 (1 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-20080313749-A1 Binding Compounds, Immunogenic Compounds and Peptidomimetics CXCL10, CCL2, CD74 GAA 3192/4885SMN1; SMN2 4730/4885ALDH1A1 4812/4885

“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.

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