SCHEMBL797206

SCHEMBL797206

Nc1nc(-c2noc(-c3ccco3)n2)nc(N2CCCc3ccccc32)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 8/20 0.45
USP2 O75604 6/20 0.45
ROCK1 Q13464 1/20 0.45
POLB P06746 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RECQL P46063 2/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 3/20 0.41
PKM P14618 1/20 0.41
NUDT1 P36639 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
SCHEMBL796246 0.94 ALDH1A1 (0.49) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL17220118 0.71 ALDH1A1 (0.61) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL795357 0.69 ADORA2A (0.47) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL12134685 0.69 ALDH1A1 (0.71) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL795410 0.67 RAB9A (0.47) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL929329 0.67 ALDH1A1 (0.66) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL796295 0.67 HSD17B10 (0.47) ALDH1A1MAPTSMN1; SMN2MAPK1MEN1
SCHEMBL28268589 0.67 ROCK1 (0.49) ALDH1A1HTTMAPTSMN1; SMN2MEN1
SCHEMBL17220187 0.66 ALDH1A1 (0.52) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL17220188 0.66 ALDH1A1 (0.52) ALDH1A1LMNAHTTMAPTSMN1; SMN2

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 439/4885LMNA 4798/4885HTT 3966/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885LMNA 4798/4885HTT 3966/4885

“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.