SCHEMBL520019

SCHEMBL520019

CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.72
PTGS2 P35354 2/20 0.72
PTGS1 P23219 1/20 0.72
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
MAPT P10636 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
HRH2 P25021 1/20 0.57
HRH1 P35367 1/20 0.57
KCNJ1 P48048 2/20 0.57
KCNH2 Q12809 2/20 0.57
DRD3 P35462 1/20 0.54
SIRT6 Q8N6T7 1/20 0.53
PKM P14618 1/20 0.52
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL521113 0.93 HRH3 (0.71) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL27853347 0.92 HRH3 (0.78) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL20236316 0.90 LTA4H (0.71) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL519633 0.88 LTA4H (0.91) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL28180293 0.87 LTA4H (0.71) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL4992188 0.87 LTA4H (0.89) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL16569908 0.86 LTA4H (0.66) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL9471555 0.85 DRD3 (0.70) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL3866515 0.85 LTA4H (0.67) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL519451 0.84 LTA4H (0.71) LTA4HPTGS2PTGS1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566100-B Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2023-10-27 CN disclosed
EP-3040329-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 EP disclosed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (3 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI LTA4H 3792/4885PTGS2 4609/4885PTGS1 3850/4885
US-10059663-B2 Aromatic compound and use thereof SOST, ALPI, FGF23 LTA4H 3941/4885PTGS2 4444/4885PTGS1 3525/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 LTA4H 1682/4885PTGS2 1462/4885PTGS1 1200/4885

“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.