SCHEMBL796246

SCHEMBL796246

Nc1nc(-c2noc(-c3ccco3)n2)nc(N2CCc3ccccc32)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
TP53 P04637 5/20 0.43
POLB P06746 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ROCK1 Q13464 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 6/20 0.41
CASP3 P42574 1/20 0.41
HPGD P15428 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 7/20 0.39
LMNA P02545 4/20 0.39
USP2 O75604 3/20 0.39
ALOX15 P16050 2/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL797206 0.94 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL795357 0.71 ADORA2A (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL796470 0.70 ROCK1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL795410 0.68 RAB9A (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL795520 0.67 ROCK1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12134684 0.67 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL17220343 0.66 ROCK1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL795229 0.66 NPC1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL796295 0.66 HSD17B10 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL795701 0.66 NPC1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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 (2 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885NPC1 3204/4885RAB9A 4766/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885NPC1 3204/4885RAB9A 4766/4885

“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.