Bromide

Bromide

SCHEMBL2901637

Br.COc1ccc2nc(-c3ccc(Br)cc3)cn2c1

nearest known ligand 0.68

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.68
APP P05067 4/20 0.68
RAB9A P51151 10/20 0.66
NPC1 O15118 9/20 0.66
PAX8 Q06710 2/20 0.66
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 5/20 0.57
PKM P14618 2/20 0.57
EPHX2 P34913 1/20 0.57
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MITF O75030 1/20 0.51
KDM5A P29375 1/20 0.51
KDM5C P41229 1/20 0.51
NFKB1 P19838 2/20 0.51

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
SCHEMBL2906109 0.98 ALDH1A3 (0.70) ALDH1A3APPRAB9ANPC1PAX8
SCHEMBL13198289 0.90 ALDH1A3 (0.75) ALDH1A3APPRAB9ANPC1PAX8
SCHEMBL13325701 0.86 ALDH1A3 (0.74) ALDH1A3APPRAB9ANPC1PAX8
Bromide SCHEMBL3300229 0.85 ALDH1A3 (0.68) ALDH1A3APPRAB9ANPC1PAX8
SCHEMBL2817276 0.84 ALDH1A3 (0.70) ALDH1A3APPRAB9ANPC1PAX8
SCHEMBL2899627 0.84 ALDH1A3 (0.70) ALDH1A3APPRAB9ANPC1PAX8
SCHEMBL10527726 0.84 ALDH1A3 (0.70) ALDH1A3APPRAB9ANPC1PAX8
SCHEMBL28338009 0.83 ALDH1A3 (0.81) ALDH1A3APPRAB9ANPC1KDM4E
Bromide SCHEMBL1691457 0.82 NPC1 (0.75) ALDH1A3APPRAB9ANPC1PAX8
SCHEMBL2127814 0.81 NPC1 (0.57) ALDH1A3APPRAB9ANPC1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216994-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-08-26 US disclosed
EP-2216052-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 EP disclosed
US-20090252680-A1 NOVEL COMPOUND WITH AFFINITY FOR AMYLOID NIHON- MEDI-PHYSICS CO., LTD (JP) 2009-10-08 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 (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-20100216994-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME APBA1, APP, S100A4 ALDH1A3 2637/4885APP 2/4885RAB9A 2882/4885
US-20090252680-A1 NOVEL COMPOUND WITH AFFINITY FOR AMYLOID APBA1, APP, SLC7A1 ALDH1A3 3051/4885APP 2/4885RAB9A 1766/4885

“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.