Bromide

Bromide

SCHEMBL5228524

O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cc[n+](Cc2ccccc2)cc1.[Br-]

nearest known ligand 0.59

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 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
F10 P00742 3/20 0.53
POLB P06746 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.48
SMO Q99835 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
SCHEMBL12316777 0.83 POLB (0.69) F10POLBRXFP1MEN1ALDH1A1
Iodide SCHEMBL5221809 0.80 APOBEC3A (0.64) F10POLBRXFP1MEN1KMT2A
Hydrochloric Acid SCHEMBL34475658 0.79 PKM (0.76) PKMALDH1A1HPGDKMT2AMAPT
SCHEMBL5223022 0.76 POLB (0.75) PKMF10POLBRXFP1MEN1
SCHEMBL11887376 0.75 NPC1 (0.67) PKMPOLB
SCHEMBL5226687 0.74 NPC1 (0.74) F10RXFP1ALDH1A1
SCHEMBL10179708 0.74 F10 (0.79) F10RXFP1
SCHEMBL14855627 0.73 POLB (0.79) PKMPOLBRXFP1MEN1KMT2A
SCHEMBL11263739 0.72 F10 (0.49) PKMF10MEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11263734 0.72 SMN1; SMN2 (0.57) PKMPOLBMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 PKM 1656/4885F10 12/4885POLB 2711/4885

“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.