Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL5679496

Br.N=C(N)SC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

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
▸ SIGMAR1 known ✓ Q99720 4/20 0.35
▸ GRIN2A known ✓ Q12879 2/20 0.35
▸ EPHX1 P07099 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ GRIN2D O15399 2/20 0.35
▸ GRIN3B O60391 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN2C Q14957 2/20 0.35
▸ GRIN3A Q8TCU5 2/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35

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
SCHEMBL17598877 0.98 EPHX1 (0.42) EPHX1LMNAPOLBTHRBBLM
Hydrochloric Acid SCHEMBL1238887 0.69 LMNA (0.43) EPHX1LMNAPOLBTHRBBLM
SCHEMBL1238032 0.65 ALDH1A1 (0.42) EPHX1LMNAPOLBTHRBBLM
SCHEMBL11306719 0.64 LMNA (0.50) EPHX1LMNAPOLBTHRBBLM
SCHEMBL17322707 0.64 ALDH1A1 (0.43) EPHX1LMNAPOLBTHRBBLM
SCHEMBL3915588 0.63 LMNA (0.47) EPHX1LMNAPOLBTHRBBLM
SCHEMBL28608224 0.63 LMNA (0.47) EPHX1LMNAPOLBTHRBBLM
Hydrochloric Acid SCHEMBL5680301 0.62 LMNA (0.41) LMNAPOLBTHRBBLMPMP22
SCHEMBL27793441 0.61 ALDH1A1 (0.47) EPHX1LMNAPOLBTHRBBLM
SCHEMBL6686594 0.60 SLC22A2 (0.44) EPHX1LMNAPOLBTHRBBLM

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
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 — — EP disclosed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 — — EP disclosed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 — — US disclosed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 — — 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-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NOS1, NOS2, NOS3 SIGMAR1 525/4885GRIN2A 4508/4885EPHX1 347/4885

“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.