Bromide

Bromide

SCHEMBL1193429

Br.Br.Nc1nc2c(s1)CC(N)CC2

nearest known ligand 0.96

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
ADRA2A known ✓ P08913 2/20 0.51
ADRB2 known ✓ P07550 1/20 0.51
HTR1A known ✓ P08908 1/20 0.51
ADRA2B known ✓ P18089 1/20 0.51
ADRA2C known ✓ P18825 1/20 0.51
HTR1B known ✓ P28222 1/20 0.51
ADRA1A known ✓ P35348 1/20 0.51
SIGMAR1 known ✓ Q99720 1/20 0.51
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DRD3 P35462 5/20 0.51
DRD2 P14416 4/20 0.51
HRH2 P25021 2/20 0.51
DRD4 P21917 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
SCHEMBL2051128 0.98 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
SCHEMBL306889 0.98 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
SCHEMBL306888 0.98 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL27632975 0.96 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL942873 0.96 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL1032722 0.96 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
Bromide SCHEMBL16061698 0.95 LMNA (0.53) LMNAPOLBGAAMAPTTSHR
Cadaverine Tartrate SCHEMBL3998786 0.83 LMNA (0.47) LMNAPOLBGAAMAPTTSHR
Cadaverine Tartrate SCHEMBL28359878 0.83 LMNA (0.47) LMNAPOLBGAAMAPTTSHR
Cadaverine Tartrate SCHEMBL307192 0.82 LMNA (0.46) LMNAPOLBGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP disclosed
US-8389555-B2 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2013-03-05 US disclosed
US-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 US disclosed
EP-2220060-A1 MEDICAMENTS Motac Neuroscience Limited (GB) 2010-08-25 EP disclosed
WO-2009056805-A1 MEDICAMENTS MOTAC NEUROSCIENCE LIMITED (GB) 2009-05-07 WO disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
EP-1562921-B1 PROCESS FOR PREPARING 2,6-DIAMINO-4,5,6,7-TETRAHYDRO-BENZOTHIAZOLE CIPLA LTD (IN) 2008-05-21 EP disclosed
EP-1562921-B1 PROCESS FOR PREPARING 2,6-DIAMINO-4,5,6,7-TETRAHYDRO-BENZOTHIAZOLE CIPLA LTD (IN) 2008-05-21 EP disclosed
US-7285669-B2 Process for preparing 2,6-diamino-4,5,6,7-tetrahydro-benzothiazole CIPLA LIMITED (IN) 2007-10-23 US disclosed
US-7285669-B2 Process for preparing 2,6-diamino-4,5,6,7-tetrahydro-benzothiazole CIPLA LIMITED (IN) 2007-10-23 US disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO disclosed
EP-0483252-A1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES FOR TREATING DISEASES OF THE EYE BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1992-05-06 EP disclosed
WO-1991001136-A1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES FOR TREATING DISEASES OF THE EYE BOEHRINGER INGELHEIM KG (DE) 1991-02-07 WO disclosed
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
EP-0186087-A1 Tetrahydro-benzothiazoles, their production and their use as intermediates or drugs Dr. Karl Thomae GmbH (DE) 1986-07-02 EP 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 ADRA2A 2630/4885ADRB2 1475/4885HTR1A 911/4885
US-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 ADRA2A 18/4885ADRB2 11/4885HTR1A 23/4885

“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.