SCHEMBL1972686

SCHEMBL1972686

CCCCOC(=O)c1nc(Cl)c2sc(Br)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.45
ATM Q13315 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
COMT P21964 1/20 0.42
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL1974768 0.91 ESR1 (0.45) ESR1ATML3MBTL1LMNAMAPT
SCHEMBL1973145 0.88 ESR1 (0.47) ESR1ATML3MBTL1LMNACOMT
SCHEMBL1973675 0.88 ESR1 (0.47) ESR1ATML3MBTL1LMNACOMT
SCHEMBL1974871 0.85 ESR1 (0.48) ESR1ATML3MBTL1LMNACOMT
SCHEMBL1976395 0.84 ESR1 (0.47) ESR1ATML3MBTL1LMNACOMT
SCHEMBL1974507 0.80 DDX3X (0.43) ESR1ATML3MBTL1LMNAMAPT
SCHEMBL1972674 0.79 L3MBTL1 (0.45) ESR1ATML3MBTL1LMNAMAPT
SCHEMBL522181 0.78 ATM (0.53) ESR1ATML3MBTL1LMNAMAPT
SCHEMBL1974611 0.77 ESR1 (0.47) ESR1ATML3MBTL1LMNAMAPT
SCHEMBL1975265 0.77 ESR1 (0.47) ESR1ATML3MBTL1LMNAMAPT

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-9000006-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2015-04-07 US disclosed
US-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2014-08-07 US disclosed
US-8703795-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2014-04-22 US disclosed
EP-1866318-B1 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN INC (US) 2011-06-22 EP disclosed
EP-1866318-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2007-12-19 EP disclosed
WO-2006094292-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2006-09-08 WO disclosed
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof FIBROGEN, INC. 2006-09-07 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 (2 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-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 ESR1 3632/4885ATM 3192/4885L3MBTL1 3104/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 3632/4885ATM 3192/4885L3MBTL1 3104/4885

“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.