SCHEMBL1554822

SCHEMBL1554822

CC(C)(C)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
TDP1 Q9NUW8 2/20 0.63
HTT P42858 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
RECQL P46063 2/20 0.56
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 6/20 0.51
HSD17B10 Q99714 1/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28119886 0.89 ALDH1A1 (0.59) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL19877863 0.85 ALDH1A1 (0.59) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL8300172 0.84 TDP1 (0.60) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL3293437 0.83 ALDH1A1 (0.56) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL875440 0.82 ALDH1A1 (0.56) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL875441 0.82 ALDH1A1 (0.56) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL8690865 0.81 ALDH1A1 (0.57) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL7919545 0.81 ALDH1A1 (0.54) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL8579709 0.81 ALDH1A1 (0.46) ALDH1A1TDP1HTTNPC1RAB9A
SCHEMBL6112961 0.81 ALDH1A1 (0.58) ALDH1A1TDP1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 US disclosed
EP-2604597-B1 HETEROCYCLIC COMPOUND AND USE THEREOF INHIBITOR OF PHOSPHODIESTERASE 10A TAKEDA PHARMACEUTICALS CO (JP) 2017-01-04 EP disclosed
US-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 US disclosed
EP-2604597-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-30 US disclosed
WO-2011049221-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049222-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011040629-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 WO disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO disclosed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB ALDH1A1 1584/4885TDP1 557/4885HTT 104/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB ALDH1A1 1584/4885TDP1 557/4885HTT 104/4885
US-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PDE3A, PDE2A, PDE5A ALDH1A1 160/4885TDP1 161/4885HTT 2857/4885
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK ALDH1A1 3283/4885TDP1 405/4885HTT 3454/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR ALDH1A1 2628/4885TDP1 3309/4885HTT 1433/4885

“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.