Bromide

Bromide

SCHEMBL9517907

Br.N=c1sccn1CC(=O)O

nearest known ligand 0.55

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 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALDH1A1 P00352 8/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GFER P55789 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL3886114 0.98 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL14119393 0.96 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7122888 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3273982 0.74 KMT2A (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL13779317 0.73 RAB9A (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
Bromide SCHEMBL1668833 0.67 ALDH1A1 (0.35) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL24163129 0.65 CSNK2A2 (0.38) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL3889066 0.64 INMT (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL6950367 0.64 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL3719707 0.63 KDM4E (0.53) ALDH1A1KMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 — — EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 — — US disclosed
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 — — EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 — — US disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 — — 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 (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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPC1 501/4885RAB9A 1180/4885SMN1; SMN2 2626/4885

“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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