SCHEMBL2388710

SCHEMBL2388710

Cc1c([N+](=O)[O-])c[nH]c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
FBP1 P09467 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TPMT P51580 1/20 0.38
CASP6 P55212 2/20 0.38
DNA2 P51530 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GPR35 Q9HC97 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4701010 0.85 POLB (0.42) TSHRPOLBMEN1ALDH1A1KMT2A
SCHEMBL7811994 0.85 POLB (0.42) TSHRPOLBMEN1ALDH1A1KMT2A
SCHEMBL8963317 0.84 KDM4E (0.40) TSHRPOLBMEN1ALDH1A1PKM
SCHEMBL19332726 0.84 CCNC (0.44) TSHRALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL4703943 0.81 KMT2A (0.43) TSHRMEN1ALDH1A1KMT2ATDP1
SCHEMBL7056735 0.78 HPGD (0.45) POLBMEN1ALDH1A1PKMKMT2A
SCHEMBL23348176 0.74 TPMT (0.39) TSHRTDP1L3MBTL1FBP1CYP1A2
SCHEMBL18040270 0.73 POLB (0.49) POLBMEN1ALDH1A1PKMNPY1R
SCHEMBL8319779 0.71 MAPT (0.46) TSHRPOLBMEN1ALDH1A1KMT2A
SCHEMBL8319090 0.71 MAPT (0.46) TSHRPOLBMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840529-B2 Substituted pyrimidines as LRKK2 inhibitors DENALI THERAPEUTICS INC. (US) 2023-12-12 US disclosed
US-20210300914-A1 SUBSTITUTED PYRIMIDINES AS LRKK2 INHIBITORS DENALI THERAPEUTICS INC. (US) 2021-09-30 US disclosed
US-11028080-B2 Substituted pyrimidines as LRKK2 inhibitors DENALI THERAPEUTICS INC. (US) 2021-06-08 US disclosed
US-20190084975-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2019-03-21 US disclosed
EP-3350145-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL Board of Regents, The University of Texas System (US) 2018-07-25 EP disclosed
WO-2017156493-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2017-09-14 WO disclosed
WO-2017049091-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-23 WO disclosed
US-8017599-B2 Sequence selective pyrrole and imidazole polyamide metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2011-09-13 US disclosed
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 US disclosed
EP-0991417-A1 COMPLEX FORMATION BETWEEN DSDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-04-12 EP disclosed
EP-0986539-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-03-22 EP disclosed
US-5998140-A COMPLEXES OF CELL WITH OLIGOMER THE SCRIPPS RESEARCH INSTITUTE (US) 1999-12-07 US disclosed
EP-0885189-A2 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-12-23 EP disclosed
WO-1998050582-A1 COMPLEX FORMATION BETWEEN dsDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-12 WO disclosed
WO-1998050058-A1 COMPLEX FORMATION BETWEEN DSDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-12 WO disclosed
WO-1998049142-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-05 WO disclosed
WO-1997030975-A2 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-08-28 WO disclosed
EP-0722446-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-24 EP disclosed
WO-1996005196-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA S.P.A. (IT) 1996-02-22 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 (5 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-11028080-B2 Substituted pyrimidines as LRKK2 inhibitors LRRK2, DTYMK, LMTK2 TSHR 3907/4885POLB 1012/4885MEN1 2687/4885
US-11840529-B2 Substituted pyrimidines as LRKK2 inhibitors LRRK2, DTYMK, LMTK2 TSHR 3907/4885POLB 1012/4885MEN1 2687/4885
US-20210300914-A1 SUBSTITUTED PYRIMIDINES AS LRKK2 INHIBITORS LRRK2, DTYMK, LMTK2 TSHR 3907/4885POLB 1012/4885MEN1 2687/4885
US-20190084975-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 TSHR 3899/4885POLB 1026/4885MEN1 907/4885
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes POLRMT, MPI, PPIF TSHR 2789/4885POLB 64/4885MEN1 563/4885

“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.