Bromide

Bromide

SCHEMBL3970513

Br.Cc1sc(NC(C)(C)CO)nc1-c1ccc(Br)cc1

nearest known ligand 0.50

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 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CFTR P13569 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLTP P55058 1/20 0.39
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4077729 0.73 MAPT (0.59) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4078154 0.73 TP53 (0.48) MAPTMEN1KMT2AHTTPOLB
SCHEMBL4411480 0.72 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL3604783 0.71 ALDH1A1 (0.48) MAOAMAOBALDH1A1MAPTMEN1
SCHEMBL2585693 0.69 ALDH1A1 (0.55) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL19626557 0.69 SMN1; SMN2 (0.49) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL19625302 0.69 MAPT (0.46) ALDH1A1MAPTHTTNPSR1CFTR
SCHEMBL4075399 0.68 ACHE (0.37) GAA
SCHEMBL11480686 0.66 SMN1; SMN2 (0.65) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1485004 0.66 PIK3CA (0.42)

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
US-7618990-B2 4-[2-(4,4-Dimethyl-2-thioxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile; progesterone receptor (PR); contraception, treating or preventing fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas, hormone replacement therapy WYETH (US) 2009-11-17 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 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 (2 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-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 MAOA 811/4885MAOB 573/4885ALDH1A1 1109/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR MAOA 2026/4885MAOB 2331/4885ALDH1A1 3334/4885

“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.