SCHEMBL1973531

SCHEMBL1973531

CCCCOC(=O)c1nc(Br)c2sc(-c3ccc(F)cc3)cc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
IKBKB O14920 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34
COMT P21964 1/20 0.34
DDX3X O00571 1/20 0.33

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
SCHEMBL1974058 0.92 ESR1 (0.40) ESR1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL1976981 0.90 TRPM8 (0.41) ESR1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL1974064 0.89 MAPT (0.43) ESR1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL1977214 0.88 EGLN1 (0.41) ESR1MAPTATMPOLBTSHR
SCHEMBL1972719 0.86 TRPM8 (0.41) ESR1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL1973276 0.85 MAPT (0.43) ESR1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL1973145 0.82 ESR1 (0.47) ESR1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL1975055 0.80 EGLN1 (0.41) ESR1MAPTATMPOLBTSHR
SCHEMBL1972800 0.80 MAPT (0.41) ESR1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL1973428 0.80 SMN1; SMN2 (0.41) ESR1MAPTSMN1; SMN2RAB9AKDM4E

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 3632/4885MAPT 3256/4885SMN1; SMN2 2645/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 3632/4885MAPT 3256/4885SMN1; SMN2 2645/4885

“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.