SCHEMBL7056735

SCHEMBL7056735

CCOC(=O)c1[nH]cc([N+](=O)[O-])c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
ALDH1A1 P00352 7/20 0.45
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
HSP90AA1 P07900 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 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
SCHEMBL4703943 0.84 KMT2A (0.43) HPGDALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL7689927 0.78 ALDH1A1 (0.38) HPGDALDH1A1POLBLMNASMN1; SMN2
SCHEMBL7135043 0.78 ALDH1A1 (0.39) HPGDALDH1A1POLBLMNASMN1; SMN2
SCHEMBL2388710 0.78 TSHR (0.50) ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL8963317 0.77 KDM4E (0.40) ALDH1A1POLBSMN1; SMN2CYP1A2KMT2A
SCHEMBL19332726 0.77 CCNC (0.44) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL18040285 0.76 AR (0.54) KMT2AMEN1MAPTRAB9AGAA
SCHEMBL16693014 0.76 AR (0.54) KMT2AMEN1MAPTRAB9AGAA
SCHEMBL4107701 0.76 CYP1A2 (0.52) HPGDALDH1A1POLBLMNACYP1A2
SCHEMBL11649335 0.75 CYP1A2 (0.50) HPGDALDH1A1POLBLMNASMN1; 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 7 patents. 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
WO-2017156493-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2017-09-14 WO disclosed
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 WO disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP 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-11028080-B2 Substituted pyrimidines as LRKK2 inhibitors LRRK2, DTYMK, LMTK2 HPGD 1818/4885ALDH1A1 4020/4885POLB 1012/4885
US-11840529-B2 Substituted pyrimidines as LRKK2 inhibitors LRRK2, DTYMK, LMTK2 HPGD 1818/4885ALDH1A1 4020/4885POLB 1012/4885
US-20210300914-A1 SUBSTITUTED PYRIMIDINES AS LRKK2 INHIBITORS LRRK2, DTYMK, LMTK2 HPGD 1818/4885ALDH1A1 4020/4885POLB 1012/4885
US-20190084975-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 HPGD 2233/4885ALDH1A1 3725/4885POLB 1026/4885

“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.