SCHEMBL899707

SCHEMBL899707

Cc1c([N+](=O)[O-])ccc(Cl)c1N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
TSHR P16473 6/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 3/20 0.44
VCAM1 P19320 5/20 0.43
RECQL P46063 1/20 0.43
PDE7A Q13946 1/20 0.42
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5510180 0.85 TDP1 (0.52) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL31569017 0.85 TDP1 (0.52) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4864448 0.82 TDP1 (0.57) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL11250657 0.81 TDP1 (0.52) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL588286 0.80 TSHR (0.55) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL278506 0.80 TDP1 (0.67) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL1265339 0.80 TSHR (0.55) TDP1TSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL10727741 0.80 TDP1 (0.67) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL30711152 0.80 TSHR (0.55) TDP1TSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL30256667 0.80 TDP1 (0.67) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-8598183-B2 Solid state forms of a potent HCV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
WO-2013147750-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013147749-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013149147-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
EP-2621921-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2013-08-07 EP disclosed
EP-2621495-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION Boehringer Ingelheim International GmbH (DE) 2013-08-07 EP disclosed
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
WO-2012041771-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-05 WO disclosed
WO-2012044520-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-05 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 (6 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-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 TDP1 4744/4885TSHR 4574/4885MAPK1 455/4885
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS IL36G, IL17A, IL6ST TDP1 4218/4885TSHR 2633/4885MAPK1 2417/4885
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION SLC10A1, HAVCR2, GOT2 TDP1 4263/4885TSHR 3874/4885MAPK1 4338/4885
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR SLC10A1, HAVCR2, ABL1 TDP1 4699/4885TSHR 4732/4885MAPK1 758/4885
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION HAVCR2, EIF2AK2, SLC10A1 TDP1 4622/4885TSHR 3971/4885MAPK1 2769/4885
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 TDP1 4744/4885TSHR 4574/4885MAPK1 455/4885

“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.