SCHEMBL2479753

SCHEMBL2479753

O=C(CCl)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
GSK3B P49841 5/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
DHODH Q02127 1/20 0.43
CBX7 O95931 2/20 0.43
CDYL Q9Y232 2/20 0.43
CDY1; CDY1B Q9Y6F8 2/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM2B Q8NHM5 2/20 0.40
NCEH1 Q6PIU2 1/20 0.40

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
SCHEMBL203507 0.83 PTPN1 (0.70) PTPN1GSK3BCYP3A4DHODHCBX7
SCHEMBL1054478 0.81 GSK3B (0.52) PTPN1GSK3BCYP3A4DHODHCBX7
SCHEMBL12620004 0.81 PTPN1 (0.49) PTPN1GSK3BCYP3A4ALDH1A1DHODH
SCHEMBL27870931 0.81 SMN1; SMN2 (0.50) PTPN1GSK3BCYP3A4ALDH1A1DHODH
SCHEMBL30354087 0.81 PTPN1 (0.67) PTPN1GSK3BCYP3A4ALDH1A1TRPA1
SCHEMBL8766718 0.81 PTPN1 (0.67) PTPN1GSK3BCYP3A4ALDH1A1TRPA1
SCHEMBL474016 0.80 GSK3B (0.64) GSK3BALDH1A1TRPA1MAPK1HIF1A
SCHEMBL6339905 0.79 LCK (0.58) PTPN1GSK3BALDH1A1TRPA1MAPK1
SCHEMBL203740 0.79 CYP2A6 (0.46) PTPN1CYP3A4ALDH1A1DHODHCYP2A6
SCHEMBL30389099 0.78 CYP3A4 (0.57) CYP3A4DHODHHPGDLMNAL3MBTL1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017021270-A1 PROCESS FOR THE SYNTHESIS OF RAVIDASVIR HC-PHARMA AG (CH) 2017-02-09 WO disclosed
EP-2797913-B1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-17 EP disclosed
EP-2797913-B1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-17 EP disclosed
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 US disclosed
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 US disclosed
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 US disclosed
US-20150203474-A1 SOLID FORMS COMPRISING INHIBITORS OF HCV NS5A, COMPOSITIONS THEREOF, AND USES THEREWITH PRESIDIO PHARMACEUTICALS, INC. 2015-07-23 US disclosed
US-20150203474-A1 SOLID FORMS COMPRISING INHIBITORS OF HCV NS5A, COMPOSITIONS THEREOF, AND USES THEREWITH PRESIDIO PHARMACEUTICALS, INC. 2015-07-23 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2011156543-A2 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-15 WO disclosed
WO-2011156543-A2 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-15 WO disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
EP-2373172-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010065674-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
WO-2010065674-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO 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 (4 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-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PTPN1 202/4885GSK3B 493/4885CYP3A4 2538/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PTPN1 202/4885GSK3B 493/4885CYP3A4 2538/4885
US-20150203474-A1 SOLID FORMS COMPRISING INHIBITORS OF HCV NS5A, COMPOSITIONS THEREOF, AND USES THEREWITH ABL1, HAVCR2, MAVS PTPN1 134/4885GSK3B 1341/4885CYP3A4 1531/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PTPN1 202/4885GSK3B 493/4885CYP3A4 2538/4885

“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.