SCHEMBL15565899

SCHEMBL15565899

Nc1ncc(Br)cc1CCBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
HTT P42858 3/20 0.52
DYRK1A Q13627 2/20 0.38
IDO1 P14902 1/20 0.38
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34

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
Bromide SCHEMBL27487574 0.98 HTT (0.50) KMT2AHTTDYRK1AIDO1MEN1
SCHEMBL1104634 0.83 KMT2A (0.56) KMT2AHTTDYRK1AIDO1MEN1
Bromide SCHEMBL725234 0.82 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MEN1
Hydrochloric Acid SCHEMBL858442 0.82 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MEN1
SCHEMBL29607382 0.79 HTT (0.56) KMT2AHTTDYRK1AIDO1MEN1
SCHEMBL14051242 0.79 HTT (0.56) KMT2AHTTDYRK1AIDO1MEN1
SCHEMBL23534521 0.78 KMT2A (0.46) KMT2AHTTDYRK1AIDO1MEN1
SCHEMBL68962 0.78 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MEN1
SCHEMBL14493846 0.78 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MEN1
SCHEMBL31746033 0.78 HTT (0.54) KMT2AHTTDYRK1AIDO1MEN1

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
EP-2882738-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-31 EP disclosed
EP-2882739-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-03 EP disclosed
US-9315522-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-04-19 US disclosed
US-9296760-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-03-29 US disclosed
CN-104981466-A novel antibacterial compounds JANSSEN SCIENCES IRELAND UC 2015-10-14 CN disclosed
US-20150225424-A1 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 US disclosed
US-20150210719-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND US (IE) 2015-07-30 US disclosed
CN-104781250-A New antibacterial compounds JANSSEN SCIENCES IRELAND UC 2015-07-15 CN disclosed
EP-2882738-A1 NEW ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland UC (IE) 2015-06-17 EP disclosed
EP-2882739-A1 NEW ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland UC (IE) 2015-06-17 EP disclosed
WO-2014023815-A1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2014-02-13 WO disclosed
WO-2014023814-A1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2014-02-13 WO disclosed
CN-102459249-A Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases EXELIXIS INC 2012-05-16 CN disclosed
CN-101415701-A Heterocyclylacrylamide compounds as FABI inhibitors and antibacterial agents AFFINIUM PHARM INC (CA) 2009-04-22 CN disclosed
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN disclosed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN 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-20150210719-A1 ANTIBACTERIAL COMPOUNDS FAR1, GAA, ECI1 KMT2A 4351/4885HTT 4715/4885DYRK1A 4800/4885
US-20150225424-A1 Antibacterial compounds FAR1, GAA, ECI1 KMT2A 4351/4885HTT 4715/4885DYRK1A 4800/4885

“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.