SCHEMBL16474453

SCHEMBL16474453

O=c1ccc(C2CCCCC2)cn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 2/20 0.49
BLM P54132 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC18A3 Q16572 6/20 0.42
HRH3 Q9Y5N1 1/20 0.38
KMO O15229 1/20 0.37
MAT2A P31153 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CYP2D6 P10635 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GLA P06280 1/20 0.36

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 0.98 CYP1A2 (0.50) KDM4ECYP1A2ALDH1A1BLMHPGD
SCHEMBL16474452 0.95 CYP1A2 (0.50) KDM4ECYP1A2ALDH1A1BLMHPGD
SCHEMBL10059490 0.92 KDM4E (0.53) KDM4ECYP1A2ALDH1A1BLMHPGD
SCHEMBL11980104 0.79 F10 (0.48) SLC18A3HTTKMT2ATDP1CA1
SCHEMBL10059358 0.78 ALDH1A1 (0.54) KDM4ECYP1A2ALDH1A1BLMHPGD
SCHEMBL10059458 0.75 DRD2 (0.36) KDM4ECYP1A2ALDH1A1BLMHPGD
SCHEMBL23612701 0.73 CREBBP (0.42) KDM4EHRH3SMN1; SMN2HTTKMT2A
SCHEMBL10059598 0.72 MAT2A (0.34) KDM4ECYP1A2ALDH1A1BLMHPGD
SCHEMBL10059487 0.71 CA1 (0.50) KDM4EALDH1A1SMN1; SMN2TDP1CA1
SCHEMBL28690649 0.70 HPGD (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 529/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 529/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 529/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 529/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 529/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 529/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 529/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 529/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 KDM4E 2117/4885CYP1A2 3249/4885ALDH1A1 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.