SCHEMBL21737204

SCHEMBL21737204

CCc1cc(Cl)cnc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.39
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAU P00749 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SLC6A2 P23975 4/20 0.34

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
SCHEMBL14114851 0.86 CRHR1 (0.36) CRHR1HPGDHTTHSD17B10LMNA
SCHEMBL23346613 0.83 CRHR1 (0.35) CRHR1HPGDHTTHSD17B10NOS3
SCHEMBL10289728 0.80 HPGD (0.37) CRHR1HPGDHTTHSD17B10NOS3
SCHEMBL10264617 0.80 CRHR1 (0.46) CRHR1HPGDHTTHSD17B10LMNA
SCHEMBL12886350 0.78 CRHR1 (0.39) CRHR1HPGDHTTHSD17B10NOS3
SCHEMBL13180337 0.78 NOS3 (0.39) CRHR1HPGDHTTHSD17B10NOS3
SCHEMBL18378745 0.77 PLAU (0.42) CRHR1HPGDHTTHSD17B10LMNA
SCHEMBL10272604 0.77 CRHR1 (0.38) CRHR1HPGDHTTHSD17B10LMNA
SCHEMBL2225270 0.77 NOS3 (0.42) HPGDHTTHSD17B10NOS3NOS1
SCHEMBL6468196 0.77 PTGS1 (0.35) CRHR1HPGDHTTHSD17B10NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286918-A1 MANUFACTURING PROCESS FOR 3,5-DICHLOROPICOLINONITRILE FOR SYNTHESIS OF VADADUSTAT AKEBIA THERAPEUTICS, INC. (US) 2023-09-14 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 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 (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-20230286918-A1 MANUFACTURING PROCESS FOR 3,5-DICHLOROPICOLINONITRILE FOR SYNTHESIS OF VADADUSTAT CYP3A4, CYP2D6, CYP2F1 CRHR1 4341/4885HPGD 1126/4885HTT 2236/4885

“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.