Bromide

Bromide

SCHEMBL4915787

Br.Br.N=C(N)SCc1cc(F)ccc1Sc1ccc(Cl)cc1CSC(=N)N

nearest known ligand 0.57

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
IDO1 P14902 12/20 0.57
HTT P42858 4/20 0.57
CYP1A2 P05177 1/20 0.47
PRMT1 Q99873 1/20 0.47
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
ALDH1A1 P00352 1/20 0.40
ALDH3A1 P30838 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.40
MAPT P10636 1/20 0.40
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 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
SCHEMBL4917614 0.99 IDO1 (0.56) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4446834 0.94 IDO1 (0.57) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4564201 0.93 IDO1 (0.50) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3686736 0.92 IDO1 (0.56) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4442763 0.92 IDO1 (0.54) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4437970 0.92 IDO1 (0.67) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3685521 0.91 IDO1 (0.49) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3684003 0.90 IDO1 (0.56) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3752992 0.90 IDO1 (0.66) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4442320 0.86 IDO1 (0.49) IDO1HTTLMNASMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 IDO1 269/4885HTT 1363/4885CYP1A2 71/4885

“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.