SCHEMBL21729751

SCHEMBL21729751

C/C=C/c1ccc2c(c1)C(=O)N(C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.43
▸ DDB1 Q16531 2/20 0.43
▸ CRBN Q96SW2 2/20 0.43
▸ PRF1 P14222 1/20 0.39
▸ HDAC4 P56524 5/20 0.38
▸ HDAC1 Q13547 5/20 0.38
▸ HDAC6 Q9UBN7 5/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KCNJ1 P48048 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ PARP1 P09874 1/20 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
SCHEMBL26669939 0.84 MEN1 (0.48) CNR2DDB1CRBNPRF1MEN1
SCHEMBL20455902 0.83 KCNJ1 (0.51) DDB1CRBNPRF1HDAC4HDAC1
SCHEMBL20456055 0.82 GABRA1 (0.44) DDB1CRBNPRF1HDAC4HDAC1
SCHEMBL435023 0.74 DDB1 (0.48) DDB1CRBNPRF1MEN1KMT2A
SCHEMBL10086219 0.74 NPC1 (0.45) CNR2HDAC4HDAC1HDAC6CYP3A4
SCHEMBL19928492 0.73 DDB1 (0.47) DDB1CRBNPRF1HDAC1HDAC6
SCHEMBL21983836 0.73 DDB1 (0.47) DDB1CRBNPRF1HDAC1HDAC6
SCHEMBL18655707 0.73 ALDH1A1 (0.49) CNR2CYP3A4ATMMEN1KMT2A
SCHEMBL1438576 0.73 CASP3 (0.47) DDB1CRBNPRF1MEN1KMT2A
SCHEMBL13213025 0.73 GABRG2 (0.47) DDB1CRBNPARP1

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-20210246100-A1 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD (AU) 2021-08-12 — — US disclosed
US-11014873-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD. (AU) 2021-05-25 — — US disclosed
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. 2020-02-20 — — 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 (3 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-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 CNR2 2959/4885DDB1 661/4885CRBN 3237/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 CNR2 3008/4885DDB1 633/4885CRBN 3169/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 CNR2 2980/4885DDB1 822/4885CRBN 3231/4885

“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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