SCHEMBL1636595

SCHEMBL1636595

COC(=O)c1cc(Br)cc(C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.42
NR4A2 P43354 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 2/20 0.41
SLC6A3 Q01959 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL6439053 0.88 NR4A2 (0.46) KDM4EMAPTNR4A2NOTUMALDH1A1
SCHEMBL1229320 0.85 KDM4E (0.43) KDM4EPKMMAPTNR4A2NOTUM
SCHEMBL28601825 0.85 XDH (0.41) KDM4EMAPTNR4A2ALDH1A1GAA
SCHEMBL23599863 0.83 CYP3A4 (0.53) KDM4EPKMMAPTNR4A2ALDH1A1
SCHEMBL3310733 0.83 KDR (0.43) KDM4EPKMMAPTNR4A2NOTUM
SCHEMBL3599330 0.81 KDM4E (0.58) KDM4EPKMMAPTALDH1A1GAA
SCHEMBL17694369 0.81 CYP3A4 (0.53) KDM4EPKMMAPTNR4A2ALDH1A1
SCHEMBL24683587 0.81 SOS1 (0.48) KDM4EPKMMAPTNR4A2NOTUM
SCHEMBL31719787 0.81 SOS1 (0.41) KDM4EMAPTNR4A2NOTUMALDH1A1
SCHEMBL25381284 0.81 ABL1 (0.45) MAPTNR4A2ALDH1A1GAASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 KDM4E 2406/4885PKM 3041/4885MAPT 3333/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 KDM4E 2871/4885PKM 3049/4885MAPT 3184/4885

“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.