Bromide

Bromide

SCHEMBL14699383

Br.COCCN1CN(CCOC)C(Cl)=C1Cl

nearest known ligand 0.34

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 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PABPC1 P11940 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL19411241 0.70 HPGD (0.41) ALDH1A1KDM4EMAPTPABPC1HPGD
Hydrochloric Acid SCHEMBL14699402 0.68 HPGD (0.40) ALDH1A1KDM4EMAPTPABPC1HPGD
SCHEMBL24052259 0.67 MAPT (0.35) ALDH1A1KDM4EMAPT
SCHEMBL14094223 0.65 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL14094400 0.65 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL14094214 0.65 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL2844152 0.64 GBA1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL24233237 0.63 P2RX7 (0.32) ALDH1A1
SCHEMBL24052059 0.62 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11412030 0.62 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828401-B2 Ruthenium-based complex catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-28 — — US disclosed
EP-2744816-B1 RUTHENIUM-BASED COMPLEX CATALYSTS GOVERNING COUNCIL UNIV TORONTO (CA) 2017-10-11 — — EP disclosed
CN-103857688-B Complex catalyst based on ruthenium 多伦多大学管理委员会 2016-08-17 — — CN disclosed
US-20150057450-A1 RUTHENIUM-BASED COMPLEX CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2015-02-26 — — US disclosed
EP-2744816-A1 RUTHENIUM-BASED COMPLEX CATALYSTS The Governing Council Of The University Of Toronto (CA) 2014-06-25 — — EP disclosed
CN-103857688-A Ruthenium-based complex catalysts UNIV TORONTO 2014-06-11 — — CN disclosed
WO-2013024119-A1 RUTHENIUM-BASED COMPLEX CATALYSTS THE GOVERNING COUNCIL OF UNIVERSITY OF TORONTO (CA) 2013-02-21 — — 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-20150057450-A1 RUTHENIUM-BASED COMPLEX CATALYSTS HIRIP3, SRP54, ORC3 ALDH1A1 3544/4885KDM4E 3469/4885MAPT 2185/4885

“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.

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