SCHEMBL20456509

SCHEMBL20456509

COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1Br

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.81
KMT2A Q03164 4/20 0.81
ALDH1A1 P00352 3/20 0.81
HPGD P15428 3/20 0.81
NPC1 O15118 3/20 0.81
RAB9A P51151 3/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
TP53 P04637 2/20 0.81
CYP3A4 P08684 2/20 0.81
HIF1A Q16665 2/20 0.81
KDM4E B2RXH2 2/20 0.81
NPSR1 Q6W5P4 2/20 0.81
PKM P14618 2/20 0.81
CYP1A2 P05177 1/20 0.81
CYP2C9 P11712 1/20 0.81
CYP2C19 P33261 1/20 0.81
HSD17B10 Q99714 1/20 0.81
ABCC4 O15439 1/20 0.81
HPGDS O60760 1/20 0.81
ABCB11 O95342 1/20 0.81

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
SCHEMBL20456508 1.00 MEN1 (0.81) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL20455889 0.91 MEN1 (0.81) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL20455973 0.91 MEN1 (0.81) MEN1KMT2AALDH1A1HPGDNPC1
Tranilast SCHEMBL8696829 0.90 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDNPC1
Tranilast SCHEMBL29366319 0.90 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDNPC1
Tranilast SCHEMBL29875 0.90 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDNPC1
Tranilast SCHEMBL30053800 0.90 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDNPC1
Tranilast SCHEMBL29876 0.90 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDNPC1
Tranilast SCHEMBL10978582 0.90 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDNPC1
Tranilast SCHEMBL30352530 0.90 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11603349-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD (AU) 2023-03-14 US disclosed
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
CN-110546133-A Anti-fibrotic compounds SHIRE HUMAN GENETIC THERAPIES 2019-12-06 CN disclosed
WO-2018144620-A9 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD. (AU) 2019-01-24 WO disclosed
WO-2018144620-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2018-08-09 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 (4 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-11603349-B2 Anti-fibrotic compounds TGFB1, SMAD3, TGFB2 MEN1 3362/4885KMT2A 4688/4885ALDH1A1 1274/4885
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 MEN1 3362/4885KMT2A 4688/4885ALDH1A1 1274/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 MEN1 3342/4885KMT2A 4677/4885ALDH1A1 1184/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 MEN1 2379/4885KMT2A 4352/4885ALDH1A1 1967/4885

“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.