SCHEMBL3618684

SCHEMBL3618684

C=CCNc1ccccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
HPGD P15428 6/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 7/20 0.44
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 4/20 0.40
GLA P06280 3/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL8930739 0.83 ALDH1A1 (0.40) KDM4EHPGDTSHRHSD17B10GAA
SCHEMBL8930736 0.82 KDM4E (0.45) KDM4EHPGDTSHRHSD17B10GAA
SCHEMBL7399942 0.81 ALDH1A1 (0.39) KDM4EHPGDTSHRHSD17B10GAA
SCHEMBL4784858 0.80 ALDH1A1 (0.44) KDM4EHPGDGAAL3MBTL1ALDH1A1
SCHEMBL3626955 0.79 KDM4E (0.53) KDM4EHPGDTSHRHSD17B10GAA
SCHEMBL9408906 0.79 KDM4E (0.53) KDM4EHPGDTSHRHSD17B10GAA
SCHEMBL10671006 0.79 KDM4E (0.53) KDM4EHPGDTSHRHSD17B10GAA
SCHEMBL9408904 0.79 KDM4E (0.53) KDM4EHPGDTSHRHSD17B10GAA
SCHEMBL29072360 0.77 KDM4E (0.56) KDM4EHPGDTSHRHSD17B10GAA
SCHEMBL29072362 0.77 KDM4E (0.56) KDM4EHPGDTSHRHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578729-A4 1-ALKYL-3-AMINOINDAZOLES ALCON INC (CH) 2007-08-29 EP claimed
US-20060052613-A1 1-alkyl-3-aminoindazoles ALCON, INC. (CH) 2006-03-09 US claimed
EP-1578729-A1 1-ALKYL-3-AMINOINDAZOLES Alcon, Inc. (CH) 2005-09-28 EP claimed
WO-2004058725-A1 1-ALKYL-3-AMINOINDAZOLES ALCON, INC. (CH) 2004-07-15 WO claimed
US-6433116-B1 None US disclosed
US-7799930-B2 1-alkyl-3-aminoindazoles ALCON, INC. (CH) 2010-09-21 US disclosed
US-7799930-B2 1-alkyl-3-aminoindazoles ALCON, INC. (CH) 2010-09-21 US disclosed
US-20090149659-A1 1-ALKYL-3-AMINOINDAZOLES ALCON, INC. (CH) 2009-06-11 US disclosed
US-20090149659-A1 1-ALKYL-3-AMINOINDAZOLES ALCON, INC. (CH) 2009-06-11 US disclosed
CN-100361977-C 1-alkyl-3-aminoindazoles ALCON INC (CH) 2008-01-16 CN disclosed
EP-1578729-A4 1-ALKYL-3-AMINOINDAZOLES ALCON INC (CH) 2007-08-29 EP disclosed
EP-1578729-A4 1-ALKYL-3-AMINOINDAZOLES ALCON INC (CH) 2007-08-29 EP disclosed
US-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions BASF CORPORATION 2001-08-30 US disclosed
US-6235901-B1 CAN BE POLYMERIZED AND/OR COPOLYMERIZED BY CATONIC POLYMERIZATION; CAN BE CROSSLINKED AND ARE USEFUL IN COATINGS, INKS, OVERPRINT VARNISHES, AND SURFACE TREATMENT APPLICATIONS. S. C. JOHNSON COMMERCIAL MARKETS, INC. 2001-05-22 US disclosed
WO-2000068212-A1 OXAZOLINE OR OXAZINE ACETOACETATE AQUEOUS COATING COMPOSITIONS S. C. JOHNSON COMMERCIAL MARKETS, INC. (US) 2000-11-16 WO disclosed
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
WO-1999010346-A1 BENZOTHIADIAZINYL-INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 1999-03-04 WO disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 US disclosed
US-4211783-A Hypolipidemic and antiatherosclerotic novel 4-(aralkyl- and heteroarylalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-07-08 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-20060052613-A1 1-alkyl-3-aminoindazoles NAT1, AADAC, CYP1B1 KDM4E 2238/4885HPGD 136/4885TSHR 4021/4885
US-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions ITGB7, DNMT3A, KAT7 KDM4E 567/4885HPGD 3068/4885TSHR 2758/4885
US-20090149659-A1 1-ALKYL-3-AMINOINDAZOLES NAT1, AADAC, CYP1B1 KDM4E 2238/4885HPGD 136/4885TSHR 4021/4885

“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.