SCHEMBL343250

SCHEMBL343250

CC(C)(OC(=O)Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MGLL Q99685 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
ELANE P08246 1/20 0.43
HSD11B1 P28845 1/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1461897 0.84 ELANE (0.60) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL8144923 0.84 GAA (0.47) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL2721445 0.82 GAA (0.54) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL16407834 0.81 GAA (0.50) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL10140437 0.81 GAA (0.50) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL31488048 0.81 BCL9 (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL763093 0.81 BCL9 (0.54) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL5487025 0.79 GAA (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL6348996 0.79 BCL9 (0.56) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL7412943 0.79 GAA (0.51) GAABCL9CTNNB1HTR2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2025-10-14 US disclosed
WO-2025089370-A1 COMPOUNDS AS CSF1R INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-05-01 WO disclosed
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2023-03-30 US disclosed
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2022-10-18 US disclosed
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2022-07-21 US disclosed
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
EP-3661931-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-10 EP disclosed
US-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 US disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
WO-2010111050-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 WO disclosed
WO-2010111057-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 WO disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (10 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-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC GAA 1111/4885BCL9 1571/4885CTNNB1 463/4885
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 GAA 294/4885BCL9 807/4885CTNNB1 1528/4885
US-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 GAA 191/4885BCL9 1972/4885CTNNB1 3526/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 GAA 266/4885BCL9 1881/4885CTNNB1 3359/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885BCL9 2453/4885CTNNB1 4473/4885
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 GAA 294/4885BCL9 807/4885CTNNB1 1528/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 GAA 294/4885BCL9 807/4885CTNNB1 1528/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885BCL9 2453/4885CTNNB1 4473/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC GAA 1111/4885BCL9 1571/4885CTNNB1 463/4885
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 GAA 294/4885BCL9 807/4885CTNNB1 1528/4885

“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.