Bromide

Bromide

SCHEMBL3874715

Br.Br.c1ccc2[nH]c(NC3CCNCC3)nc2c1

nearest known ligand 0.64

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 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.53
KCNH2 Q12809 2/20 0.53
HDAC6 Q9UBN7 1/20 0.51
KCNN3 Q9UGI6 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CHEK1 O14757 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
RIPK1 Q13546 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL382481 0.98 JAK1 (0.54) JAK1KCNH2HDAC6KCNN3SMN1; SMN2
Hydrochloric Acid SCHEMBL8130344 0.97 JAK1 (0.53) JAK1KCNH2HDAC6KCNN3SMN1; SMN2
Hydrochloric Acid SCHEMBL5007369 0.97 JAK1 (0.53) JAK1KCNH2HDAC6KCNN3SMN1; SMN2
Hydrochloric Acid SCHEMBL9691036 0.92 NPC1 (0.50) JAK1KCNH2HDAC6KCNN3SMN1; SMN2
SCHEMBL9690640 0.90 CHEK1 (0.52) JAK1KCNH2HDAC6KCNN3SMN1; SMN2
SCHEMBL28406604 0.89 HDAC6 (0.57) KCNH2HDAC6KCNN3SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL9691095 0.88 CHEK1 (0.51) JAK1KCNH2HDAC6KCNN3SMN1; SMN2
Hydrochloric Acid SCHEMBL9690626 0.88 CHEK1 (0.51) JAK1KCNH2HDAC6KCNN3SMN1; SMN2
Propionic Acid SCHEMBL28749715 0.86 SMN1; SMN2 (0.53) JAK1KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL27898220 0.86 RIPK1 (0.62) HDAC6KCNN3SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528149-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-05 US disclosed
US-7407969-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
US-7390811-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-7361657-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-22 US disclosed
US-20070135404-A1 Respiratory Syncytial Virus Replication Inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-06-14 US disclosed
EP-1400519-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 EP disclosed
US-7179811-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-20 US disclosed
US-7173054-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-7173034-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-20070021410-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
WO-2001000615-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 WO disclosed
WO-2001000612-A2 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 WO disclosed
WO-2001000611-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 WO disclosed
EP-0378254-B1 2-Aminopyrimidinone derivatives JANSSEN PHARMACEUTICA NV (BE) 1994-06-22 EP disclosed
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
EP-0232937-B1 ANTI-HISTAMINIC COMPOSITIONS CONTAINING N-HETEROCYCLYL-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-19 EP disclosed
US-5008268-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-16 US disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0378254-A2 2-Aminopyrimidinone derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-18 EP disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 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-20070135404-A1 Respiratory Syncytial Virus Replication Inhibitors SARS1, ACE, MAVS JAK1 2505/4885KCNH2 4500/4885HDAC6 3826/4885
US-20070021410-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI JAK1 906/4885KCNH2 1071/4885HDAC6 2243/4885

“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.