SCHEMBL359806

SCHEMBL359806

CN1CC[C@@H](NC(=O)c2ccc3nsnc3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.46
CHRNA7 P36544 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
LMNA P02545 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL360677 0.84 HDAC4 (0.49) HDAC4HDAC1HDAC6HPGDNPC1
SCHEMBL14392385 0.84 HDAC4 (0.49) HDAC4HDAC1HDAC6HPGDNPC1
SCHEMBL357468 0.79 HPGD (0.80) HDAC4HDAC1HDAC6HPGDNPC1
SCHEMBL4288472 0.79 HPGD (0.55) HDAC4HDAC1HDAC6HPGDNPC1
SCHEMBL1052303 0.78 NPC1 (0.68) HDAC6HPGDNPC1RAB9AALDH1A1
SCHEMBL10212629 0.77 HDAC4 (0.51) HDAC4HDAC6HPGDNPC1RAB9A
SCHEMBL358049 0.76 PBK (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17888351 0.76 NPC1 (0.60) HDAC4HDAC1HDAC6HPGDNPC1
SCHEMBL24553421 0.75 HDAC4 (0.47) HDAC4HDAC1HDAC6MAPTMEN1
SCHEMBL19175216 0.75 HDAC4 (0.47) HDAC4HDAC1HDAC6MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 HDAC4 2282/4885HDAC1 417/4885HDAC6 1004/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HDAC4 2282/4885HDAC1 417/4885HDAC6 1004/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HDAC4 2282/4885HDAC1 417/4885HDAC6 1004/4885

“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.