SCHEMBL20695802

SCHEMBL20695802

CSCCNCc1ccccc1CNCCSC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.50
VEGFA P15692 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
CA12 O43570 5/20 0.47
CA2 P00918 5/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
NPY1R P25929 1/20 0.46
NPY5R Q15761 1/20 0.46
CA9 Q16790 4/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MPO P05164 1/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42

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
SCHEMBL9965802 0.81 MEN1 (0.64) CHRM2VEGFAEGLN1KDM4EMPO
Hydrochloric Acid SCHEMBL4349681 0.79 MEN1 (0.61) CHRM2VEGFAEGLN1KDM4EMPO
SCHEMBL15416880 0.75 SMN1; SMN2 (0.56) CHRM2VEGFAEGLN1CA2
SCHEMBL19583588 0.74 CHRM2 (0.62) CHRM2KDM4ETSHR
SCHEMBL20695800 0.74 DRD2 (0.57) CHRM2KDM4ETSHR
SCHEMBL14476995 0.72 CHRM2 (0.79) CHRM2CA12CA2CA9KDM4E
SCHEMBL8498074 0.71 LTA4H (0.57) BCHEKDM4E
SCHEMBL26731587 0.71 CHRM2 (0.61) CHRM2CA12CA2KDM4ETSHR
SCHEMBL20962611 0.70 ALDH1A1 (0.59) CHRM2CA12CA2CA9KDM4E
SCHEMBL18575559 0.70 CA12 (0.54) CHRM2CA12CA2CA9KDM4E

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-3438113-B1 TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2021-02-17 EP disclosed
US-10550141-B2 Tetradentate ligand, and production method therefor, synthetic intermediate thereof, and transition metal complex thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-02-04 US disclosed
US-10550141-B2 Tetradentate ligand, and production method therefor, synthetic intermediate thereof, and transition metal complex thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-02-04 US disclosed
US-20190127407-A1 TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-02 US disclosed
US-20190127407-A1 TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-02 US disclosed
EP-3438113-A1 TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF Takasago International Corporation (JP) 2019-02-06 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-10550141-B2 Tetradentate ligand, and production method therefor, synthetic intermediate thereof, and transition metal complex thereof CYP4F11, SLC39A11, CYP51A1 CHRM2 4655/4885VEGFA 3102/4885EGLN1 3683/4885
US-20190127407-A1 TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF CYP4F11, SLC39A11, CYP51A1 CHRM2 4655/4885VEGFA 3102/4885EGLN1 3683/4885

“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.