Bromide

Bromide

SCHEMBL6074363

Br.O=C(CN1C=CN(CC(=O)c2ccccc2)C1)c1ccccc1

nearest known ligand 0.49

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 2/20 0.49
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ GSK3B P49841 4/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ TRPA1 O75762 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44

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 SCHEMBL6074980 0.90 SMN1; SMN2 (0.58) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL3845432 0.88 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
Bromide SCHEMBL3845509 0.88 NPC1 (0.46) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
Bromide SCHEMBL2530948 0.87 LMNA (0.49) ALDH1A1MAPTSMN1; SMN2MAPK1CYP3A4
Hydrochloric Acid SCHEMBL3846002 0.87 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
Bromide SCHEMBL6074208 0.86 KMT2A (0.46) ALDH1A1MAPTSMN1; SMN2TDP1HPGD
SCHEMBL28841390 0.86 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
Hydrochloric Acid SCHEMBL10529156 0.85 KMT2A (0.41) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL10529513 0.85 HRH1 (0.51) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
Bromide SCHEMBL6010080 0.85 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022721-B1 Method and composition for rejuvenating cells, tissues, organs, hair and nails ULRICH PETER C 2006-04-04 — — US disclosed
US-20050245512-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails ULRICH PETER C 2005-11-03 — — US disclosed
US-6777557-B2 Method and composition for rejuvenating cells, tissues organs, hair and nails FARRINGTON PHARMACEUTICALS, LLC 2004-08-17 — — US disclosed
EP-1098647-A4 COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA LONG ISLAND JEWISH RES INST (US) 2003-06-18 — — EP disclosed
US-20020188015-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails FARRINGTON PHARMACEUTICALS, LLC 2002-12-12 — — US disclosed
US-6391899-B1 STROKE THERAPY; CARDIOVASCULAR DISORDERS North Shore—Long Island Jewish Research Institute 2002-05-21 — — US disclosed
EP-1098647-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2001-05-16 — — EP disclosed
WO-2000003711-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-01-27 — — 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 (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-20020188015-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails TERT, TELO2, HKDC1 ALDH1A1 3396/4885MAPT 1442/4885SMN1; SMN2 2608/4885
US-20050245512-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails TERT, TELO2, HKDC1 ALDH1A1 3396/4885MAPT 1442/4885SMN1; SMN2 2608/4885

“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.

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