SCHEMBL1950329

SCHEMBL1950329

Cc1ccccc1N1C=[N+](c2ccccc2C)CC1.F[B-](F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ ACHE P22303 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ MCOLN3 Q8TDD5 1/20 0.31

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
SCHEMBL818463 0.94 ADRB1 (0.40) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL29603042 0.84 ADRB1 (0.38) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL31127735 0.83 ADRB1 (0.37) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL1950899 0.77 HTT (0.37) ALDH1A1HPGDSMN1; SMN2MEN1MAPT
Hydrochloric Acid SCHEMBL15329756 0.72 KMT2A (0.38) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL17203575 0.70 IDH1 (0.31) —
SCHEMBL18527599 0.70 LMNA (0.32) ALDH1A1HPGDSMN1; SMN2MEN1MAPT
Hydrochloric Acid SCHEMBL1609146 0.70 ALDH1A1 (0.36) ALDH1A1ACHETSHR
SCHEMBL1947927 0.69 MEN1 (0.31) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL16967258 0.66 ADRB1 (0.53) ADRB1ALDH1A1HPGDSMN1; SMN2KMT2A

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
EP-2151446-B1 Process for the preparation of bidentate schiff base ruthenium catalysts containing a salicylaldimine-type ligand RIMTEC CORP (JP) 2016-04-13 — — EP disclosed
EP-2151445-B1 Process for the preparation of bidentate Schiff base ruthenium catalysts containing a salicylaldimine-type ligand RIMTEC CORP (JP) 2015-02-18 — — EP disclosed
US-8338613-B2 Process for the preparation of bidentate schiff base ruthenium catalysts containing a salicylaldimine-type ligand RIMTEC CORPORATION (JP) 2012-12-25 — — US disclosed
US-20110137043-A1 Process for the preparation of bidentate schiff base ruthenium catalysts containing a salicylaldimine-type ligand TELENE S.A.S. (FR) 2011-06-09 — — US disclosed
US-20110065925-A1 Process for the preparation of bidentate schiff base ruthenium catalysts containing a salicylaldimine-type ligand TELENE S.A.S. (FR) 2011-03-17 — — US disclosed
EP-2151446-A1 Process for the preparation of bidentate schiff base ruthenium catalysts containing a salicylaldimine-type ligand Telene SAS (FR) 2010-02-10 — — EP disclosed
EP-2151445-A1 Process for the preparation of bidentate Schiff base ruthenium cataysts containing a saliclyldimine-type ligand Telene SAS (FR) 2010-02-10 — — 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-20110137043-A1 Process for the preparation of bidentate schiff base ruthenium catalysts containing a salicylaldimine-type ligand SPR, LIG4, SUCLA2 ADRB1 2302/4885ALDH1A1 1371/4885HPGD 666/4885
US-20110065925-A1 Process for the preparation of bidentate schiff base ruthenium catalysts containing a salicylaldimine-type ligand SPR, LIG4, SUCLA2 ADRB1 2302/4885ALDH1A1 1371/4885HPGD 666/4885

“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.

Send feedback