SCHEMBL1736045

SCHEMBL1736045

O=C(CBr)Nc1ccc(Br)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FDFT1 P37268 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
JAK3 P52333 1/20 0.42
PTPN1 P18031 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
LMNA P02545 2/20 0.40
PABPC1 P11940 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 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
SCHEMBL17673062 0.84 MAPT (0.65) MEN1KMT2AMAPTKDM4EFDFT1
SCHEMBL7930779 0.84 HDAC1 (0.48) MEN1KMT2AMAPTKDM4EFDFT1
SCHEMBL20576296 0.81 MEN1 (0.50) MEN1KMT2AMAPTKDM4EFDFT1
SCHEMBL5618326 0.81 ALDH1A1 (0.57) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL13814572 0.81 GABRP (0.42) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL3561668 0.79 FDFT1 (0.50) MEN1KMT2AMAPTKDM4EFDFT1
SCHEMBL30692811 0.79 HDAC3 (0.68) MEN1KMT2AMAPTSMN1; SMN2HDAC3
SCHEMBL22584977 0.79 HDAC3 (0.68) MEN1KMT2AMAPTSMN1; SMN2HDAC3
SCHEMBL31241142 0.79 SMN1; SMN2 (0.71) MAPTSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL8813741 0.78 SMN1; SMN2 (0.50) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 MEN1 3792/4885KMT2A 3692/4885MAPT 1796/4885

“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.