SCHEMBL1104634

SCHEMBL1104634

Nc1ncc(Br)cc1CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
DYRK1A Q13627 3/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36

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 SCHEMBL725234 0.98 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MAPT
Hydrochloric Acid SCHEMBL858442 0.98 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MAPT
SCHEMBL15565899 0.83 KMT2A (0.52) KMT2AHTTDYRK1AIDO1MAPT
SCHEMBL14051242 0.83 HTT (0.56) KMT2AHTTDYRK1AIDO1MAPT
SCHEMBL29607382 0.83 HTT (0.56) KMT2AHTTDYRK1AIDO1MAPT
Bromide SCHEMBL27487574 0.82 HTT (0.50) KMT2AHTTDYRK1AIDO1MAPT
SCHEMBL24567435 0.81 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MAPT
SCHEMBL17490830 0.81 HTT (0.54) KMT2AHTTDYRK1AIDO1MAPT
SCHEMBL68962 0.81 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MAPT
SCHEMBL14493846 0.81 KMT2A (0.54) KMT2AHTTDYRK1AIDO1MAPT

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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
WO-2022187329-A1 FABI INHIBITORS FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-09 WO disclosed
US-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-21 US disclosed
WO-2019177975-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-09-19 WO disclosed
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
EP-2882738-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-31 EP disclosed
EP-2882738-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-31 EP disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 WO disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 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 (4 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-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS PGLS, MGAM, GMDS KMT2A 3682/4885HTT 3718/4885DYRK1A 1844/4885
US-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS KMT2A 3682/4885HTT 3718/4885DYRK1A 1844/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 KMT2A 4261/4885HTT 4814/4885DYRK1A 4567/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF KMT2A 4353/4885HTT 2878/4885DYRK1A 4552/4885

“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.