SCHEMBL19869956

SCHEMBL19869956

COc1cc(Br)ccc1CN1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.66
KDM4E B2RXH2 4/20 0.62
TDP1 Q9NUW8 1/20 0.62
TRPV6 Q9H1D0 1/20 0.58
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HRH2 P25021 1/20 0.49
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL6604508 0.88 KDM4E (0.80) GAAKDM4ETDP1TRPV6KMT2A
SCHEMBL26702308 0.87 TRPV6 (0.67) GAAKDM4ETDP1TRPV6KMT2A
SCHEMBL1427564 0.86 KDM4E (0.83) KDM4ETDP1TRPV6KMT2AMEN1
SCHEMBL18227502 0.84 KDM4E (0.61) GAAKDM4ETDP1TRPV6KMT2A
SCHEMBL19869945 0.83 GAA (0.63) GAAKDM4ETDP1LMNAMAPK1
SCHEMBL24192354 0.83 ALDH1A1 (0.51) GAAKDM4ETDP1TRPV6POLB
SCHEMBL19086425 0.82 KDM4E (0.61) GAAKDM4ETDP1TRPV6KMT2A
SCHEMBL2075627 0.82 NR1H2 (0.59) GAAKDM4ETDP1KMT2AMEN1
SCHEMBL4591936 0.81 KDM4E (0.70) GAAKDM4ETDP1TRPV6KMT2A
SCHEMBL19869936 0.81 TRPV6 (0.52) GAAKDM4ETDP1TRPV6KMT2A

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 16 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
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD (AU) 2021-08-12 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-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
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-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
WO-2018144620-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2018-08-09 WO disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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 (6 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 GAA 1453/4885KDM4E 4055/4885TDP1 3820/4885
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 GAA 4237/4885KDM4E 1154/4885TDP1 1473/4885
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 GAA 1453/4885KDM4E 4055/4885TDP1 3820/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 GAA 1356/4885KDM4E 4041/4885TDP1 3731/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 GAA 4152/4885KDM4E 1262/4885TDP1 1708/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 GAA 2094/4885KDM4E 3305/4885TDP1 3895/4885

“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.