SCHEMBL1972974

SCHEMBL1972974

CCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1cc(Br)sc1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL2881044 0.85 POLB (0.43) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL1974066 0.84 ALDH1A1 (0.44) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL15268787 0.83 POLB (0.44) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL2884704 0.82 POLB (0.44) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL9832189 0.81 ALDH1A1 (0.49) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL2887291 0.80 POLB (0.46) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL1657054 0.80 POLB (0.44) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL2881201 0.79 PTPN11 (0.52) POLBALDH1A1KDM4ETSHRMEN1
SCHEMBL2887958 0.79 POLB (0.41) POLBLMNAALDH1A1KDM4ETSHR
SCHEMBL27790214 0.79 ALDH1A1 (0.64) POLBLMNAALDH1A1KDM4ETSHR

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 POLB 2680/4885LMNA 4317/4885ALDH1A1 488/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 POLB 2680/4885LMNA 4317/4885ALDH1A1 488/4885

“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.