SCHEMBL7040997

SCHEMBL7040997

O=C(NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
CD274 Q9NZQ7 6/20 0.68
ALDH1A1 P00352 2/20 0.68
HTR1A P08908 1/20 0.68
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
KCNH2 Q12809 1/20 0.68
HPGD P15428 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
POLB P06746 1/20 0.60
PKM P14618 1/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL16431135 0.86 BCL3 (0.71) LMNACD274ALDH1A1HPGDMEN1
SCHEMBL29849856 0.86 BCL3 (0.71) LMNACD274ALDH1A1HPGDMEN1
SCHEMBL28024114 0.85 POLB (0.73) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16054002 0.84 LMNA (0.77) LMNACD274ALDH1A1HTR1AMAOA
SCHEMBL26757980 0.83 LMNA (0.78) LMNAALDH1A1MAOBL3MBTL1MEN1
SCHEMBL618180 0.83 CYP2C19 (0.66) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30417071 0.82 ALDH1A1 (0.76) LMNAALDH1A1KMT2APOLBPKM
SCHEMBL4488493 0.82 CD274 (0.77) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL6569882 0.82 CD274 (0.77) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL28079638 0.82 ALDH1A1 (0.70) LMNACD274ALDH1A1HTR1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-9597329-B2 Aurora kinase inhibitors and methods of making and using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC (US) 2017-03-21 US disclosed
US-9597329-B2 Aurora kinase inhibitors and methods of making and using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC (US) 2017-03-21 US disclosed
US-9597329-B2 Aurora kinase inhibitors and methods of making and using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC (US) 2017-03-21 US disclosed
US-20170000787-A1 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-01-05 US disclosed
US-20170000787-A1 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-01-05 US disclosed
US-20170000787-A1 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-01-05 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-9249124-B2 Aurora kinase inhibitors and methods of making and using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-02-02 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
WO-2015131080-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2015-09-03 WO disclosed
US-20140057913-A1 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-02-27 US disclosed
US-20140057913-A1 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-02-27 US disclosed
US-20140057913-A1 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-02-27 US disclosed
WO-2012135641-A2 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2012-10-04 WO disclosed
EP-1052248-B1 Process for the preparation of aqueous solutions of diazonium salts CLARIANT GMBH (DE) 2003-03-19 EP disclosed
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed
EP-1052248-A1 Process for the preparation of aqueous solutions of diazonium salts Clariant GmbH (DE) 2000-11-15 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 (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-20140057913-A1 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF AURKC, AURKA, AURKB LMNA 1295/4885CD274 4264/4885ALDH1A1 3531/4885
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 LMNA 2078/4885CD274 785/4885ALDH1A1 4827/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 LMNA 2078/4885CD274 785/4885ALDH1A1 4827/4885
US-20170000787-A1 AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF AURKC, AURKA, AURKB LMNA 1295/4885CD274 4264/4885ALDH1A1 3531/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 LMNA 2078/4885CD274 785/4885ALDH1A1 4827/4885

“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.