Bromide

Bromide

SCHEMBL6074980

Br.O=C(CN1C=CN(CC(=O)c2ccc(-c3ccccc3)cc2)C1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

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
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 1/20 0.55
NR2F2 P24468 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
PTPN1 P18031 1/20 0.51
GSK3B P49841 1/20 0.51
MAPT P10636 1/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
FFAR1 O14842 1/20 0.50
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
HPGD P15428 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HAO1 Q9UJM8 1/20 0.49

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
Bromide SCHEMBL6074363 0.90 ALDH1A1 (0.49) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
Bromide SCHEMBL2530948 0.84 LMNA (0.49) SMN1; SMN2RAB9AL3MBTL1MAPTCYP3A4
SCHEMBL12220214 0.82 LMNA (0.50) SMN1; SMN2RAB9AL3MBTL1MAPTCYP3A4
Bromide SCHEMBL11319034 0.81 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AKDM4ENPC1NR2F2
Bromide SCHEMBL6073932 0.79 KMT2A (0.54) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
Bromide SCHEMBL2532767 0.79 RAB9A (0.51) SMN1; SMN2RAB9ANPC1L3MBTL1GSK3B
Bromide SCHEMBL3845509 0.79 NPC1 (0.46) SMN1; SMN2RAB9AKDM4ENPC1PTPN1
Hydrochloric Acid SCHEMBL3845432 0.79 ALDH1A1 (0.43) SMN1; SMN2RAB9AKDM4ENPC1PTPN1
Hydrochloric Acid SCHEMBL3846002 0.78 ALDH1A1 (0.56) SMN1; SMN2RAB9AKDM4ENPC1GSK3B
SCHEMBL12220178 0.77 GSK3B (0.52) SMN1; SMN2RAB9ANPC1L3MBTL1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022721-B1 Method and composition for rejuvenating cells, tissues, organs, hair and nails ULRICH PETER C 2006-04-04 US disclosed
US-20050245512-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails ULRICH PETER C 2005-11-03 US disclosed
US-6777557-B2 Method and composition for rejuvenating cells, tissues organs, hair and nails FARRINGTON PHARMACEUTICALS, LLC 2004-08-17 US disclosed
US-20020188015-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails FARRINGTON PHARMACEUTICALS, LLC 2002-12-12 US 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-20020188015-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails TERT, TELO2, HKDC1 SMN1; SMN2 2608/4885RAB9A 1317/4885KDM4E 533/4885
US-20050245512-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails TERT, TELO2, HKDC1 SMN1; SMN2 2608/4885RAB9A 1317/4885KDM4E 533/4885

“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.