SCHEMBL456947

SCHEMBL456947

Cc1c[c]c([N+](=O)[O-])cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 7/20 0.42
TDP1 Q9NUW8 5/20 0.42
CYP3A4 P08684 4/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 3/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NLRP1 Q9C000 1/20 0.34
GPR35 Q9HC97 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL1891926 0.83 TSHR (0.44) ALDH1A1TSHRTDP1CYP3A4HSD17B10
SCHEMBL9653201 0.82 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CYP3A4HSD17B10
SCHEMBL1898245 0.77 GRIN2D (0.39) ALDH1A1TSHRTDP1CYP1A2MAPT
SCHEMBL7827532 0.75 HPRT1 (0.45) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL6371746 0.75 HPRT1 (0.45) ALDH1A1TSHRTDP1CYP3A4HSD17B10
SCHEMBL3274968 0.74 SNCA (0.39) ALDH1A1TSHRTDP1CYP3A4HSD17B10
SCHEMBL5581181 0.73 MEN1 (0.35) ALDH1A1TSHRTDP1HSD17B10ACHE
SCHEMBL2886629 0.71 CYP3A4 (0.39) ALDH1A1TSHRTDP1CYP3A4HSD17B10
SCHEMBL15063688 0.71 POLB (0.41) ALDH1A1TSHRMAPTPKMHTT
SCHEMBL290002 0.70 ACHE (0.46) ALDH1A1TSHRTDP1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186876-A1 Pyridine Analogues II ASTRAZENECA AB (SE) 2009-07-23 US claimed
CN-101479256-A New pyridine analogues ASTRAZENECA AB (SE) 2009-07-08 CN claimed
EP-2041111-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-01 EP claimed
WO-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 WO claimed
US-20070244088-A1 New Pyridine Analogues II ASTRAZENECA AB (SE) 2007-10-18 US claimed
US-6534503-B1 Treating sexual dysfunction, such as erectile dysfunction or sexual arousal disorder, with a compound having the generic formula X1-X2-(D)Phe-Arg-(D)Trp-X3. A particularly useful compound is HP-228, which has the formula LION BIOSCIENCE AG (DE) 2003-03-18 US claimed
EP-1214330-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-06-19 EP claimed
WO-2001021634-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-29 WO claimed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US disclosed
US-4163022-A ANTIPLAQUE AGENTS COOPER LABORATORIES, INC. (US) 1979-07-31 US disclosed
US-4115447-A Carbamylguanidine antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4115448-A Carbamylguanidine antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 US disclosed
US-4022962-A DENTAL PLAQUE INHIBITORS COOPER LABORATORIES, INC. (US) 1977-05-10 US 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-20070244088-A1 New Pyridine Analogues II P2RY12, P2RY1, P2RY11 ALDH1A1 2018/4885TSHR 2316/4885TDP1 1589/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALDH1A1 482/4885TSHR 2629/4885TDP1 3473/4885
US-20090186876-A1 Pyridine Analogues II P2RY12, P2RY11, P2RY6 ALDH1A1 1602/4885TSHR 1809/4885TDP1 1018/4885

“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.