SCHEMBL23511482

SCHEMBL23511482

CSC(C)Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
CYP19A1 P11511 2/20 0.36
MAOA P21397 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 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
SCHEMBL20821152 0.81 CYP3A4 (0.41) CYP3A4CYP2C19CYP1A2CYP2C9ALDH1A1
Ammonia Solution, Strong SCHEMBL29040632 0.79 CYP3A4 (0.47) CYP3A4CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL12327240 0.77 SIGMAR1 (0.54) CYP2D6SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL13242159 0.77 SIGMAR1 (0.54) CYP2D6SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL104529 0.77 CYP3A4 (0.48) CYP3A4CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL26329006 0.75 CYP3A4 (0.47) CYP3A4CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL21851278 0.75 CYP3A4 (0.47) CYP3A4CYP2C19CYP1A2CYP2C9ALDH1A1
Iodide SCHEMBL1750931 0.75 CYP2C9 (0.47) CYP3A4CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL19140754 0.74 SLC6A4 (0.44) CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL25583216 0.74 TRPA1 (0.52) SLC6A2SLC6A4SLC6A3LOXL2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 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 (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-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP3A4 4706/4885CYP2C19 4866/4885CYP1A2 4271/4885

“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.