SCHEMBL44794

SCHEMBL44794

O=Cc1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
MAPT P10636 16/20 0.63
ALDH1A1 P00352 9/20 0.63
CYP1A2 P05177 4/20 0.63
CYP2C19 P33261 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
LMNA P02545 3/20 0.61
CYP2C9 P11712 3/20 0.59
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MAPK1 P28482 3/20 0.56
CYP3A4 P08684 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.53

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
SCHEMBL9693408 0.98 MAPT (0.65) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL9694345 0.85 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL3214435 0.85 SIRT6 (0.66) MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL3215794 0.85 MAPT (0.66) HPGDMAPTALDH1A1LMNACYP2C9
SCHEMBL11200094 0.85 MAPT (0.66) HPGDMAPTALDH1A1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7300999 0.84 MAPT (0.64) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL8804807 0.83 MAPT (0.47) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL25855470 0.82 HPGD (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL2204030 0.82 MAPT (0.49) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL13278197 0.82 MAPT (0.48) HPGDMAPTALDH1A1CYP1A2CYP2C19

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
EP-2590510-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-28 EP disclosed
EP-2590510-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-28 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9278102-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-08 US disclosed
US-9278102-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-08 US disclosed
US-9278102-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-08 US disclosed
CN-103772262-B A kind of different phthalimide derivatives and application thereof with anti-tumor activity SHAANXI SCIENCE AND ENGINEERING COLLEGE (CN) 2015-10-14 CN disclosed
US-20150164905-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-20150164905-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590510-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006477-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006477-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
CN-101638371-A Composite method for 5-(N-secondary amine value)-2-nitrobenzaldehyde UNIV XIANGTAN 2010-02-03 CN disclosed
EP-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP disclosed
EP-0252503-A1 Aminoimidazoquinoline derivatives Bristol-Myers Squibb Company (US) 1988-01-13 EP disclosed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 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 (1 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-20150164905-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC10A2, SLC34A1 HPGD 842/4885MAPT 3769/4885ALDH1A1 3052/4885

“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.