SCHEMBL5339226

SCHEMBL5339226

CC(C)(C)C(=O)Nc1ccc(Br)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
ALOX12 P18054 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
FPR2 P25090 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL6555297 0.85 NPC1 (0.56) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31602906 0.85 NPC1 (0.56) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14254877 0.83 HTT (0.60) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL458276 0.82 L3MBTL1 (0.48) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10047063 0.81 MAPT (0.52) LMNANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL29809375 0.81 HDAC1 (0.63) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3472841 0.81 HDAC1 (0.63) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8365770 0.80 MAPK1 (0.59) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6992137 0.80 KMT2A (0.56) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL64834 0.80 AAK1 (0.53) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-7157604-B2 Selective estrogen receptor modulators MERCK & CO., INC. (US) 2007-01-02 US disclosed
US-7157604-B2 Selective estrogen receptor modulators MERCK & CO., INC. (US) 2007-01-02 US disclosed
EP-1339683-B1 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-14 EP disclosed
EP-1418900-A4 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-01-25 EP disclosed
EP-1339683-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-07-27 EP disclosed
US-20040210080-A1 Selective estrogen receptor modulators MERCK & CO., INC. 2004-10-21 US disclosed
EP-1418900-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-05-19 EP disclosed
EP-1339683-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-09-03 EP disclosed
WO-2003015761-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2002041835-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-05-30 WO disclosed
EP-0755928-B1 5-AMINOFLAVONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
EP-0638566-B1 5-Aminoflavone derivatives, their preparation and their use as antibacterial, anti-estrogenic and/or antitumor agent KYOWA HAKKO KOGYO KK (JP) 1999-01-07 EP disclosed
EP-0755928-A1 5-AMINOFLAVONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-01-29 EP disclosed
US-5539112-A 5-aminoflavone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-07-23 US disclosed
EP-0638566-A1 5-Aminoflavone derivatives, their preparation and their use as antibacterial, anti-estrogenic and/or antitumor agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-02-15 EP 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT LMNA 3371/4885NPC1 271/4885RAB9A 2944/4885
US-20040210080-A1 Selective estrogen receptor modulators GPER1, ESR2, ESR1 LMNA 1677/4885NPC1 660/4885RAB9A 4014/4885

“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.