SCHEMBL4699755

SCHEMBL4699755

Cc1ccc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)ccc(OC(F)F)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 8/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
ALOX5 P09917 1/20 0.39
GAA P10253 4/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL7253909 0.87 ALDH1A1 (0.42) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7254218 0.86 MAPT (0.49) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5798941 0.81 MAPT (0.51) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6609547 0.77 MAPT (0.48) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7253960 0.76 PDE4B (0.52) KMT2AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6615567 0.73 MAPT (0.44) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6610665 0.72 MAPT (0.43) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6605271 0.72 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6612265 0.72 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL73947 0.71 PDE4D (0.42) KMT2AMEN1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
US-6642254-B2 Administering compounds, e.g., 8-methoxy-2-trifluoromethylquinoline-5-carboxylic acid (3,5-dichloro-1-oxypyridin-4-yl)amide for therapy of disease state that is capable of being modulated by inhibition of phosphodiesterase DARWIN DISCOVERY, LTD. (GB) 2003-11-04 US disclosed
US-20020183358-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2002-12-05 US disclosed
US-6410559-B2 3,5-DISUBSTITUTED-(OXYPYRIDINE-4-YL)AMIDE DERIVATIVES USED AS PHOSPHODIESTERASE IV OR TUMOR NECROSIS FACTOR INHIBITOR TO TREAT INFLAMMATORY DISEASE OR AUTOIMMUNE DISEASE DARWIN DISCOVERY, LTD. (GB) 2002-06-25 US disclosed
US-20010025049-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2001-09-27 US disclosed
US-6262070-B1 E.G., 8-METHOXY-2-TRIFLUOROMETHYLQUINOLINE-5-CARBOXYLIC ACID(3,5-DICHLORO-1-OXYPYRIDIN-4-YL)AMIDE; TREATMENT OF CHRONIC OBSTRUCTIVE AIRWAYS DISEASE DARWIN DISCOVERY LTD. (GB) 2001-07-17 US disclosed
EP-1045845-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY Darwin Discovery Limited (GB) 2000-10-25 EP disclosed
WO-2000026208-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2000-05-11 WO disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
US-5804588-A TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1998-09-08 US disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 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 (2 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-20010025049-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 KMT2A 4306/4885MEN1 1624/4885MAPT 4689/4885
US-20020183358-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 KMT2A 4306/4885MEN1 1624/4885MAPT 4689/4885

“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.