SCHEMBL2769872

SCHEMBL2769872

O=[N+]([O-])c1ccc(SCCBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ALDH1A1 P00352 6/20 0.57
POLB P06746 1/20 0.57
IDO1 P14902 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GSK3B P49841 1/20 0.46
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CRBN Q96SW2 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8790719 0.89 MAPT (0.54) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL8746687 0.88 ALDH1A1 (0.64) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL10484092 0.86 MAPT (0.51) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL9570633 0.82 MAPT (0.58) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL7297643 0.82 MAPT (0.58) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL8811170 0.81 MAPT (0.58) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL9395356 0.81 MAPT (0.57) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL5657641 0.81 MAPT (0.57) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL5280249 0.81 MAPT (0.57) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL8683656 0.81 ALDH1A1 (0.57) MAPTALDH1A1POLBIDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678162-B1 P-GLYCOPROTEIN INHIBITOR, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANMI PHARM IND CO LTD (KR) 2010-04-28 EP disclosed
US-7625926-B2 P-glycoprotein inhibitor, method for preparing the same and pharmaceutical composition comprising the same HANMI PHARM. CO., LTD (KR) 2009-12-01 US disclosed
EP-1678162-A4 P-GLYCOPROTEIN INHIBITOR, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANMI PHARM IND CO LTD (KR) 2008-07-02 EP disclosed
US-20070072900-A1 P-glycoprotein inhibitor, method for preparing the same and pharmaceutical composition comprising the same HANMI PHARM. CO., LTD. (KR) 2007-03-29 US disclosed
EP-1678162-A1 P-GLYCOPROTEIN INHIBITOR, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Hanmi Pharm. Co., Ltd. (KR) 2006-07-12 EP disclosed
WO-2005033097-A1 P-GLYCOPROTEIN INHIBITOR, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANMI PHARM. CO., LTD. (KR) 2005-04-14 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-20070072900-A1 P-glycoprotein inhibitor, method for preparing the same and pharmaceutical composition comprising the same ABCB1, ABCG2, ABCB11 MAPT 2328/4885ALDH1A1 1108/4885POLB 1450/4885

“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.