Bromide

Bromide

SCHEMBL15065973

Br.CSc1nccn2cc(-c3cc4ccc(F)cc4oc3=O)nc12

nearest known ligand 0.47

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
ALDH1A1 P00352 8/20 0.47
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
KDM4E B2RXH2 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 6/20 0.43
HPGD P15428 6/20 0.43
GAA P10253 5/20 0.43
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL15086309 0.99 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
SCHEMBL16674800 0.85 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
SCHEMBL15069264 0.81 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
SCHEMBL15069119 0.81 NPC1 (0.43) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
SCHEMBL15068871 0.79 NPC1 (0.41) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
SCHEMBL21301216 0.79 NPC1 (0.41) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
SCHEMBL15067010 0.79 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
Bromide SCHEMBL15066922 0.78 RAB9A (0.46) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
SCHEMBL15086296 0.76 RAB9A (0.47) ALDH1A1RAB9ANPC1KDM4EL3MBTL1
Bromide SCHEMBL15068572 0.76 ALDH1A1 (0.73) ALDH1A1RAB9ANPC1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 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 (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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 ALDH1A1 1006/4885RAB9A 3292/4885NPC1 4329/4885

“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.