SCHEMBL16474452

SCHEMBL16474452

O=c1ccc(C2CCC2)cn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 1/20 0.39
SLC18A3 Q16572 5/20 0.38
MAT2A P31153 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
DRD4 P21917 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ESR2 Q92731 1/20 0.34

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
SCHEMBL16474451 0.97 CYP1A2 (0.50) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL16474453 0.95 KDM4E (0.49) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL10059490 0.93 KDM4E (0.53) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL10059458 0.77 DRD2 (0.36) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL10059598 0.73 MAT2A (0.34) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL11980104 0.73 F10 (0.48) SLC18A3KMT2A
SCHEMBL10059358 0.73 ALDH1A1 (0.54) CYP1A2KDM4EALDH1A1HPGDBLM
SCHEMBL10059487 0.72 CA1 (0.50) KDM4EALDH1A1SMN1; SMN2
SCHEMBL10059460 0.70 FAAH (0.40) MEN1KMT2A
SCHEMBL16541526 0.70 MAPK14 (0.41) KDM4EALDH1A1HRH3HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903991-B1 ANTI-FIBROTIC PYRIDINONES INTERMUNE INC (US) 2020-09-16 EP disclosed
US-10544161-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2020-01-28 US disclosed
US-20190321343-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2019-10-24 US disclosed
US-10376497-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-08-13 US disclosed
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2019-05-16 US disclosed
US-10233195-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-03-19 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
WO-2015153683-A1 ANTI-FIBROTIC PYRIDINONES INTERMUNE, INC. (US) 2015-10-08 WO disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 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 (9 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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 CYP1A2 3249/4885KDM4E 2117/4885ALDH1A1 529/4885

“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.