SCHEMBL726679

SCHEMBL726679

CC(=O)n1nc(C)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.60
POLB P06746 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
UBE2N P61088 1/20 0.47
GLS O94925 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
F2 P00734 2/20 0.42
PLAU P00749 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9391503 0.85 ELANE (0.48) ELANEPOLBTAAR1UBE2NGLS
SCHEMBL1514915 0.85 ELANE (0.60) ELANETAAR1UBE2NGLSF2
SCHEMBL2589646 0.84 ELANE (0.59) ELANEPOLBTAAR1UBE2NGLS
SCHEMBL27342474 0.81 ELANE (0.56) ELANETAAR1UBE2NGLSF2
SCHEMBL27971365 0.80 ELANE (0.54) ELANEPOLBNR1H2NR1H3F2
SCHEMBL28076707 0.80 PDGFRA (0.62) ELANEPOLBNR1H2NR1H3F2
SCHEMBL5583818 0.80 ELANE (0.54) ELANEPOLBNR1H2NR1H3F2
SCHEMBL14193572 0.78 ELANE (0.54) ELANETAAR1UBE2NGLSF2
SCHEMBL6113809 0.77 ELANE (0.69) ELANEPOLBF2PLAU
SCHEMBL8216089 0.77 ELANE (0.52) ELANETAAR1UBE2NGLSF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 WO disclosed
EP-2422780-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
EP-2422781-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS (US) 2010-03-04 US disclosed
US-7365088-B2 Indazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-29 US disclosed
US-20060258627-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2006-11-16 US disclosed
US-20050267074-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2005-12-01 US disclosed
EP-0701555-B1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1999-08-04 EP disclosed
US-5780475-A Antipsychotic indazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-07-14 US disclosed
EP-0689539-B1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1997-12-03 EP disclosed
US-5665732-A Indazole derivatives MERCK, SHARP & DOHME LTD. (GB) 1997-09-09 US disclosed
WO-1994021630-A1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO disclosed
US-4678739-A RELEASING PHOTOGRAPHICALLY USEFUL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1987-07-07 US disclosed
EP-0187343-A2 Image forming method including heating step FUJI PHOTO FILM CO., LTD. (JP) 1986-07-16 EP 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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ELANE 3/4885POLB 1161/4885TAAR1 3416/4885
US-20050267074-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME ELANE 10/4885POLB 697/4885TAAR1 4532/4885
US-20060258627-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME ELANE 10/4885POLB 697/4885TAAR1 4532/4885
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SERPINB1, MMP7, MME ELANE 10/4885POLB 697/4885TAAR1 4532/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ELANE 3/4885POLB 1161/4885TAAR1 3416/4885

“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.