SCHEMBL21572675

SCHEMBL21572675

C=N/C=C\C(=C/C)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL19386328 0.80 ATM (0.36) HPGDALDH1A1MAPTTDP1ACHE
SCHEMBL19288105 0.80 PARP1 (0.47) PARP1HDAC8HDAC6FAAHHPGD
SCHEMBL16068459 0.79 ALDH1A1 (0.41) HDAC6HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL15830185 0.73 PARP1 (0.41) PARP1HDAC8HDAC6FAAHHPGD
SCHEMBL23260541 0.73 PARP1 (0.47) PARP1HDAC8HDAC6FAAHHPGD
SCHEMBL20661355 0.70 — —
SCHEMBL22548658 0.70 PARP1 (0.41) PARP1HDAC8HDAC6FAAHHPGD
SCHEMBL23451297 0.70 GABRP (0.44) MEN1KMT2A
SCHEMBL20934968 0.69 MEN1 (0.37) HDAC8HDAC6HPGDALDH1A1MAPT
SCHEMBL24426635 0.69 PARP1 (0.43) PARP1HDAC8HDAC6FAAHHPGD

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-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — 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-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA PARP1 2858/4885HDAC8 2975/4885HDAC6 837/4885

“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.

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