Bromide

Bromide

SCHEMBL7142168

Br.CCOC(=O)c1sc(NC(=N)N)nc1-c1ccccc1

nearest known ligand 0.75

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
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C9 P11712 1/20 0.75
CYP2C19 P33261 1/20 0.75
DHODH Q02127 14/20 0.71
GSTO1 P78417 1/20 0.69
NPSR1 Q6W5P4 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
PPARG P37231 1/20 0.64
NCOA2 Q15596 1/20 0.64
NCOA1 Q15788 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
ALDH1A1 P00352 3/20 0.63
HSD17B10 Q99714 1/20 0.63
LMNA P02545 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ADORA2B P29275 1/20 0.59

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
SCHEMBL15064976 0.86 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2318449 0.84 MEN1 (0.75) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3580925 0.84 KMT2A (0.78) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL27971291 0.83 DHODH (1.00) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28721843 0.83 DHODH (0.77) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7933989 0.83 MEN1 (0.77) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7146818 0.81 ADORA3 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13944335 0.81 MEN1 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1449522 0.81 MEN1 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL23742099 0.80 DHODH (0.72) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 MEN1 681/4885KMT2A 4510/4885CYP1A2 4389/4885

“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.