SCHEMBL19805926

SCHEMBL19805926

COc1ccc(CN2C=C(c3cc(C)nc(S)n3)C=C(F)C2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DRD4 P21917 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ DBH P09172 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ROCK2 O75116 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ SIGMAR1 Q99720 3/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.33
▸ PDE5A O76074 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ PKLR P30613 1/20 0.33
▸ P2RX3 P56373 1/20 0.33

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
SCHEMBL23897356 0.71 GRK2 (0.43) KDM4EALDH1A1DBHMAPK1SMN1; SMN2
SCHEMBL29976635 0.70 TP53 (0.37) KDM4EALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL21019937 0.61 SDHB (0.58) SMN1; SMN2LMNA
SCHEMBL8325210 0.60 ALDH1A1 (0.63) DRD4ALDH1A1HTTSIGMAR1TMEM97
SCHEMBL9621820 0.60 DBH (0.54) ALDH1A1DBHMAPK1SMN1; SMN2ROCK2
SCHEMBL26313233 0.60 SDHB (0.49) DBHROCK2TDP1
SCHEMBL21020624 0.59 GRK2 (0.43) ALDH1A1DBHMAPK1SMN1; SMN2ROCK2
SCHEMBL8327595 0.59 ALDH1A1 (0.66) DRD4ALDH1A1MAPK1LMNAHTT
SCHEMBL13461930 0.59 CYP17A1 (0.49) KDM4EALDH1A1DBHMAPK1SMN1; SMN2
SCHEMBL13559777 0.58 CHKA (0.56) KDM4EHPGDCASP1CASP7HSD17B10

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-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 — — US disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 — — US disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB KDM4E 1117/4885HPGD 208/4885CASP1 43/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB KDM4E 1117/4885HPGD 208/4885CASP1 43/4885

“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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