SCHEMBL1972802

SCHEMBL1972802

CCCCOC(=O)c1nc(Cl)c2cc(-c3ccc(OC)cc3)sc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
DDX3X O00571 1/20 0.41
COMT P21964 1/20 0.40
ESR1 P03372 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL1974507 0.92 DDX3X (0.43) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL1975336 0.90 KDM4E (0.43) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL1973708 0.86 DDX3X (0.44) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL1973865 0.82 KDM4E (0.43) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL1974768 0.80 ESR1 (0.45) NPC1RAB9AMAPTKDM4ECOMT
SCHEMBL1972719 0.80 TRPM8 (0.41) NPC1RAB9AMAPTKDM4ETDP1
SCHEMBL1978256 0.80 MAPT (0.48) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL1975813 0.80 POLB (0.42) MAPTALDH1A1TDP1DDX3XESR1
SCHEMBL1973276 0.79 MAPT (0.43) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL1976686 0.79 SCN9A (0.42) NPC1RAB9AMAPTHPGDKDM4E

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 NPC1 4098/4885RAB9A 4193/4885KMT2A 1140/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 NPC1 4098/4885RAB9A 4193/4885KMT2A 1140/4885

“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.