SCHEMBL21087455

SCHEMBL21087455

CCc1nccc(Cc2ccc(F)c(CC)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.39
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PARP1 P09874 3/20 0.33
GPR52 Q9Y2T5 1/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MPO P05164 2/20 0.32
KLKB1 P03952 2/20 0.32
MAP4K1 Q92918 2/20 0.32

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
SCHEMBL22010374 0.74 KMO (0.44)
SCHEMBL8205755 0.70 TRPA1 (0.43)
SCHEMBL830187 0.70 CYP1A2 (0.37) PARP1NOS1NOS2
Ammonia Solution, Strong SCHEMBL28652832 0.69 CYP1A2 (0.36) NOS1NOS2
SCHEMBL27570322 0.68 LMNA (0.47) MPO
Ammonia Solution, Strong SCHEMBL11451734 0.67 CYP1A2 (0.35) NOS1NOS2
SCHEMBL14402511 0.67 BACE1 (0.40) DHFR
SCHEMBL8228105 0.66 GABRA1 (0.52)
SCHEMBL21883855 0.66 LOXL2 (0.38) PARP1NOS1NOS2
SCHEMBL21087162 0.66 MPO (0.35) MPOKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662189-B2 PDE4 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2020-05-26 US disclosed
US-20190177318-A1 PDE4 INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2019-06-13 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 (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-20190177318-A1 PDE4 INHIBITOR PDE4A, PDE12, PDE4B DHFR 377/4885KDM5A 1037/4885KDM5B 1118/4885
US-10662189-B2 PDE4 inhibitor PDE4A, PDE12, PDE4B DHFR 377/4885KDM5A 1037/4885KDM5B 1118/4885

“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.