Bromide

Bromide

SCHEMBL2382371

COc1ccc(C[Zn+])cc1.[Br-]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
IDO1 P14902 3/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
AGXT P21549 2/20 0.52
LTA4H P09960 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
MAOB P27338 2/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48

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
Hydrochloric Acid SCHEMBL246727 0.95 IDO1 (0.56) IDO1CA12CA1CA2CA7
SCHEMBL5326580 0.77 IDO1 (0.58) IDO1CA12CA1CA2CA7
Iodide SCHEMBL7544118 0.76 TAAR1 (0.59) IDO1CA12CA1CA2CA7
SCHEMBL27884 0.76 LTA4H (0.81) IDO1CA12CA1CA2CA7
SCHEMBL1425001 0.76 LTA4H (0.81) IDO1CA12CA1CA2CA7
SCHEMBL25986524 0.76 LTA4H (0.81) IDO1CA12CA1CA2CA7
SCHEMBL834551 0.76 TAAR1 (0.73) IDO1CA12CA1CA2CA7
Bromide SCHEMBL27694815 0.75 IDO1 (0.56) IDO1CA12CA1CA2CA7
SCHEMBL22451382 0.75 LTA4H (0.71) IDO1CA12CA1CA2CA7
SCHEMBL25986535 0.75 LTA4H (0.71) IDO1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071736-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION 2021-07-27 US disclosed
US-10588909-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2020-03-17 US disclosed
EP-2785714-B1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2018-11-21 EP disclosed
US-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR DEVELOPMENT CENTER OF BIOTECHNOLOGY (TW) 2018-11-08 US disclosed
US-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2015-09-10 US disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-8999983-B2 Modulators of Hec1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2015-04-07 US disclosed
US-20150057281-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2015-02-26 US disclosed
US-8946268-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS, INC. (TW) 2015-02-03 US disclosed
EP-2547676-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR Taivex Therapeutics Inc. (TW) 2013-01-23 EP disclosed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 US disclosed
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 US disclosed
WO-2011115998-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS INC. (CN) 2011-09-22 WO disclosed
EP-2044061-A2 BENZOTHIOPHENE INHIBITORS OF RHO KINASE Kahraman, Mehmet (US) 2009-04-08 EP disclosed
WO-2008011560-A2 BENZOTHIOPHENE INHIBITORS OF RHO KINASE KAHRAMAN MEHMET (US) 2008-01-24 WO disclosed
US-20080021026-A1 BENZOTHIOPHENE INHIBITORS OF RHO KINASE Kahraman, Mehmet (US) 2008-01-24 US disclosed
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 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 (9 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-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 IDO1 4224/4885CA12 4684/4885CA1 4516/4885
US-20080021026-A1 BENZOTHIOPHENE INHIBITORS OF RHO KINASE RHOT2, ROCK2, ROCK1 IDO1 3541/4885CA12 4765/4885CA1 4589/4885
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B IDO1 267/4885CA12 4193/4885CA1 4401/4885
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ALK, PKN2, ERBB2 IDO1 2470/4885CA12 3023/4885CA1 2076/4885
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 IDO1 4224/4885CA12 4684/4885CA1 4516/4885
US-10588909-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 IDO1 4224/4885CA12 4684/4885CA1 4516/4885
US-11071736-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 IDO1 4224/4885CA12 4684/4885CA1 4516/4885
US-20150057281-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 IDO1 4296/4885CA12 4658/4885CA1 4541/4885
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor WEE1, WEE2, NEK11 IDO1 4296/4885CA12 4658/4885CA1 4541/4885

“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.