SCHEMBL6945690

SCHEMBL6945690

CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.65
LMNA P02545 2/20 0.58
HTR1A P08908 2/20 0.57
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
KCNJ1 P48048 1/20 0.55
HTR7 P34969 1/20 0.55

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
SCHEMBL2730000 0.94 KDM4E (0.63) SIRT6LMNAHTR1APOLBMAPT
SCHEMBL1045292 0.91 SIRT6 (0.69) SIRT6LMNAHTR1APOLBMAPT
SCHEMBL10511652 0.86 LMNA (0.68) SIRT6LMNAHTR1APOLBMAPT
SCHEMBL5187796 0.85 SIRT6 (0.60) SIRT6LMNAHTR1APOLBMAPT
SCHEMBL5743368 0.85 HTR1A (0.61) SIRT6LMNAHTR1APOLBMAPT
SCHEMBL4507337 0.85 SIRT6 (0.60) SIRT6LMNAHTR1APOLBMAPT
SCHEMBL374222 0.84 SIRT6 (0.68) SIRT6LMNAPOLBMAPTALDH1A1
SCHEMBL5209234 0.84 MAPT (0.67) SIRT6LMNAHTR1APOLBMAPT
SCHEMBL3187195 0.84 SIRT6 (0.59) SIRT6LMNAHTR1APOLBMAPT
SCHEMBL12431530 0.83 MAPT (0.70) SIRT6LMNAHTR1APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102079746-A Pyrazolo-quinazoline derivatives,process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2011-06-01 CN disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
CN-101454326-A Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-06-10 CN disclosed
CN-1826343-A Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors PHARMACIA ITALIA SPA (IT) 2006-08-30 CN disclosed
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP disclosed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 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 (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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 SIRT6 262/4885LMNA 3803/4885HTR1A 3784/4885

“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.