SCHEMBL796602

SCHEMBL796602

O=C(O)[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 9/20 0.58
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
ELANE P08246 1/20 0.52
CTSG P08311 1/20 0.52
CMA1 P23946 1/20 0.52
CTRC Q99895 1/20 0.52
EP300 Q09472 2/20 0.51
MAPK1 P28482 3/20 0.50
USP2 O75604 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL8919811 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL796601 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL796603 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL16759895 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL16775234 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL22235758 0.83 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL20844347 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL19971698 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL19971697 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL18517357 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1TSHRSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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 KMT2A 3938/4885MEN1 4842/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885MEN1 4842/4885ALDH1A1 439/4885

“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.