Bromide

Bromide

SCHEMBL3625451

Br.CC(=O)OCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.77

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 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.77
CYP11B2 P19099 8/20 0.77
FNTA P49354 7/20 0.56
FNTB P49356 7/20 0.56
PGGT1B P53609 7/20 0.56
CYP19A1 P11511 1/20 0.55

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
SCHEMBL6366103 0.99 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL8303322 0.96 CYP11B1 (0.72) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL8302850 0.83 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL31472005 0.83 CYP11B1 (0.62) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL31471987 0.83 CYP11B1 (0.62) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL6409239 0.82 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7259729 0.82 CYP11B1 (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL8005944 0.82 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7163166 0.81 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7194363 0.80 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
EP-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP disclosed
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP disclosed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 US disclosed
US-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 US disclosed
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO disclosed
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP disclosed
EP-0891360-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-05-15 EP disclosed
US-6387903-B1 ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES MERCK & CO., INC. 2002-05-14 US disclosed
WO-1997036900-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036583-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036593-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036881-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036890-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036889-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997027854-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 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-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions CYP11B1, CYP27A1, CYP17A1 CYP11B1 1/4885CYP11B2 6/4885FNTA 1605/4885

“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.