Bromide

Bromide

SCHEMBL3492880

Br.Cc1c(C(=O)O)sc2nc(CCN)[nH]c(=O)c12

nearest known ligand 0.60

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
ALDH1A1 P00352 10/20 0.60
KMT2A Q03164 9/20 0.60
MAPT P10636 6/20 0.60
TDP1 Q9NUW8 6/20 0.60
MEN1 O00255 6/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
POLB P06746 5/20 0.58
USP2 O75604 1/20 0.58
THRB P10828 1/20 0.58
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
TSHR P16473 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MCL1 Q07820 2/20 0.49
HPGD P15428 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
BCAT2 O15382 1/20 0.49
PLEC Q15149 1/20 0.48
HTT P42858 2/20 0.47

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
SCHEMBL4519702 0.99 KMT2A (0.61) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL3491468 0.86 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL3491093 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL3494338 0.83 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL13341339 0.81 ALDH1A1 (0.75) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL3493231 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL3490694 0.80 MAPT (0.65) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL3490623 0.79 KMT2A (0.59) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL3495390 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTTDP1MEN1
SCHEMBL3490640 0.79 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTTDP1MEN1

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-1908765-B1 THIENOPYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2014-10-22 EP disclosed
US-8377944-B2 Thienopyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-20130023546-A1 THIENOPYRIMIDINE DERIVATIVES GOTANDA KOTARO (JP) 2013-01-24 US disclosed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
EP-1908765-A1 THIENOPYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2008-04-09 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 (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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD ALDH1A1 762/4885KMT2A 2820/4885MAPT 1324/4885
US-20130023546-A1 THIENOPYRIMIDINE DERIVATIVES PDE9A, BPHL, THOP1 ALDH1A1 2303/4885KMT2A 2650/4885MAPT 1619/4885

“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.