Bromide

Bromide

SCHEMBL5458209

Br.COc1ccc(NC(=N)Nc2ccc(OC)c3ccccc23)c2ccccc12

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
IDO1 P14902 1/20 0.46
SCN2A Q99250 1/20 0.45
PLK1 P53350 1/20 0.45
HSP90AA1 P07900 1/20 0.45
EP300 Q09472 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
MAPT P10636 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL4977819 0.98 CDC25B (0.53) CDC25BMEN1KMT2AIDO1SCN2A
SCHEMBL4980008 0.85 MEN1 (0.43) CDC25BMEN1KMT2AIDO1SCN2A
SCHEMBL4992368 0.84 SCN2A (0.43) CDC25BMEN1KMT2AIDO1SCN2A
Hydrochloric Acid SCHEMBL4982099 0.84 MEN1 (0.43) CDC25BMEN1KMT2AIDO1SCN2A
Hydrochloric Acid SCHEMBL9115332 0.83 EP300 (0.50) CDC25BMEN1KMT2AIDO1SCN2A
SCHEMBL4979602 0.81 MEN1 (0.44) CDC25BMEN1KMT2AIDO1SCN2A
SCHEMBL6880369 0.79 CDC25B (0.59) CDC25BMEN1KMT2AIDO1SCN2A
SCHEMBL8027669 0.79 RXFP1 (0.60) CDC25BMEN1KMT2AIDO1PLK1
SCHEMBL6155354 0.78 SCN2A (0.41) CDC25BMEN1KMT2ASCN2AKDM4E
SCHEMBL9118059 0.78 CDC25B (0.50) CDC25BMEN1KMT2AIDO1SCN2A

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
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 US disclosed
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US 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-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV GAP43, NLN, HTT CDC25B 4248/4885MEN1 3546/4885KMT2A 1936/4885

“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.