Bromide

Bromide

SCHEMBL20984091

Br.COc1cc(NN)ccc1Cl

nearest known ligand 0.47

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
NPC1 O15118 2/20 0.47
GRM4 Q14833 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 6/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
SRC P12931 1/20 0.43
DYRK1A Q13627 1/20 0.42
GAA P10253 2/20 0.42
MAOB P27338 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOA P21397 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
P2RY4 P51582 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
SCHEMBL4133738 0.98 NPC1 (0.48) NPC1GRM4HDAC6MAPTKDM4E
Hydrochloric Acid SCHEMBL3661738 0.96 NPC1 (0.47) NPC1GRM4HDAC6MAPTKDM4E
Phosphoric Acid SCHEMBL28378845 0.88 GRM4 (0.51) NPC1GRM4HDAC6MAPTKDM4E
Sulfuric Acid SCHEMBL20984581 0.88 GRM4 (0.48) NPC1GRM4HDAC6MAPTKDM4E
Oxalic Acid SCHEMBL28374158 0.88 MAPT (0.54) NPC1GRM4HDAC6MAPTKDM4E
Nitric Acid SCHEMBL28377488 0.85 GRM4 (0.46) NPC1GRM4HDAC6MAPTKDM4E
Bromide SCHEMBL20984140 0.85 MAPT (0.53) NPC1GRM4MAPTPOLBRAB9A
SCHEMBL5809000 0.82 MAPT (0.54) NPC1GRM4MAPTPOLBRAB9A
Bromide SCHEMBL20984421 0.82 MAPT (0.49) NPC1MAPTKDM4ERAB9ATDP1
Hydrochloric Acid SCHEMBL4073968 0.81 NPC1 (0.55) NPC1GRM4MAPTPOLBRAB9A

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-11040938-B2 Continuous flow process for the synthesis of phenylhydrazine salts and substituted phenylhydrazine salts SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2021-06-22 US claimed
CN-107663161-B Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt 上海惠和化德生物科技有限公司 2020-04-10 CN claimed
US-20190152896-A1 Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2019-05-23 US claimed
US-11040938-B2 Continuous flow process for the synthesis of phenylhydrazine salts and substituted phenylhydrazine salts SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2021-06-22 US disclosed
CN-107663161-B Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt 上海惠和化德生物科技有限公司 2020-04-10 CN disclosed
US-20190152896-A1 Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2019-05-23 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-11040938-B2 Continuous flow process for the synthesis of phenylhydrazine salts and substituted phenylhydrazine salts HPD, TYR, PDK2 NPC1 4379/4885GRM4 3869/4885HDAC6 1827/4885
US-20190152896-A1 Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts HPD, TYR, PDK2 NPC1 4379/4885GRM4 3869/4885HDAC6 1827/4885

“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.