Bromide

Bromide

SCHEMBL5434830

Br.CCOC(=O)c1nc(C(=O)CBr)ccc1O

nearest known ligand 0.45

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 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
NPC1 O15118 6/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TARBP2 Q15633 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B2 P37059 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL8926094 0.98 CYP1A2 (0.46) CYP1A2CA12CA1CA2CA7
SCHEMBL1301427 0.77 CYP1A2 (0.77) CYP1A2CA12CA1CA2CA7
SCHEMBL25248606 0.76 CA12 (0.49) CYP1A2CA12CA1CA2CA7
SCHEMBL31236724 0.76 CA12 (0.49) CYP1A2CA12CA1CA2CA7
SCHEMBL8922334 0.73 CYP1A2 (0.51) CYP1A2CA12CA1CA2CA7
SCHEMBL18132220 0.72 CYP1A2 (0.59) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6202564 0.71 CYP1A2 (0.53) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27972725 0.71 MAPT (0.50) CYP1A2CA12CA1CA2CA7
SCHEMBL6201965 0.70 POLB (0.47) CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2
Bromide SCHEMBL6167064 0.69 P2RX7 (0.56) CYP1A2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354439-B2 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2007-10-11 US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 US disclosed
EP-0957915-B1 THIAZOLE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND OF CELL ADHESION OTSUKA PHARMA CO LTD (JP) 2005-02-02 EP disclosed
US-20040014792-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO. LTD. 2004-01-22 US disclosed
US-6583163-B2 Using thiazole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
US-20020013469-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2002-01-31 US disclosed
US-6291487-B1 THIAZOLES SUBSTITUTED WITH A PHENYL AND A PYRIDYL GROUP OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0957915-A1 AGENT FOR INHIBITION OF CYTOKINE PRODUCTION AND AGENT FOR INHIBITION OF CELL ADHESION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-11-24 EP disclosed
WO-1998014191-A1 AGENT FOR INHIBITION OF CYTOKINE PRODUCTION AND AGENT FOR INHIBITION OF CELL ADHESION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-04-09 WO disclosed
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 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 (4 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-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL CYP1A2 3176/4885CA12 2301/4885CA1 2513/4885
US-20040014792-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, SELL, IL1RN CYP1A2 3345/4885CA12 2486/4885CA1 2651/4885
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL CYP1A2 3217/4885CA12 2270/4885CA1 2439/4885
US-20020013469-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, SELL, IL1RN CYP1A2 3345/4885CA12 2486/4885CA1 2651/4885

“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.