Bromide

Bromide

SCHEMBL3297144

CN(C)c1ccc(C=Cc2n(C)c3ccccc3[n+]2CCSSCC[n+]2c(C=Cc3ccc(N(C)C)cc3)n(C)c3ccccc32)cc1.[Br-].[Br-]

nearest known ligand 0.41

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
▸ ACHE known ✓ P22303 1/20 0.39
▸ INSR P06213 10/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ BLM P54132 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PPARG P37231 2/20 0.41
▸ NCOA2 Q15596 2/20 0.41
▸ NCOA1 Q15788 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL13294089 0.99 RELA (0.42) INSRRAB9ALMNAHTTMEN1
SCHEMBL3835370 0.99 RELA (0.42) INSRRAB9ALMNAHTTMEN1
SCHEMBL15624250 0.95 INSR (0.42) INSRRAB9ALMNAHTTMEN1
SCHEMBL13839773 0.87 INSR (0.34) INSRRAB9ALMNAHTTMEN1
SCHEMBL13133372 0.78 RAB9A (0.57) INSRRAB9ALMNAHTTMEN1
SCHEMBL3834682 0.75 RAB9A (0.40) INSRRAB9ALMNAHTTMEN1
SCHEMBL3834687 0.75 RAB9A (0.40) INSRRAB9ALMNAHTTMEN1
SCHEMBL3814983 0.71 RAB9A (0.42) INSRRAB9ALMNAHTTMEN1
Bromide SCHEMBL339322 0.70 KDM4A (0.61) RAB9ALMNAHTTMEN1KMT2A
Bromide SCHEMBL339321 0.70 KDM4A (0.61) RAB9ALMNAHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727287-B2 Hemicyanin styryl thiol/disulfide dye, composition comprising hemicyanin styryl thoil/disulfide dye, and method for lightening keratin materials using hemicyanin styryl thiol/disulfide dye L'OREAL S.A. (FR) 2010-06-01 — — US disclosed
US-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE L'OREAL S.A. (FR) 2009-08-27 — — 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 (1 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-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE KRT18, SCNN1B, TST ACHE 863/4885INSR 4743/4885RAB9A 4381/4885

“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.

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