SCHEMBL796489

SCHEMBL796489

O=C(O)c1ccc(SCC2CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
HCAR3 P49019 5/20 0.46
P4HA1 P13674 2/20 0.44
P4HTM Q9NXG6 2/20 0.44
MIF P14174 1/20 0.43
TP53 P04637 1/20 0.43
CXCR2 P25025 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
SCHEMBL4432631 0.77 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL15633263 0.77 NPC1 (0.38) CYP2C9TP53CXCR2KDM6BKDM4A
SCHEMBL5445067 0.77 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL796408 0.74 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL13787819 0.74 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL29693605 0.74 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL3680735 0.74 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL147705 0.74 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL1928183 0.73 CRBN (0.42) ALDH1A1DDB1CRBNCXCR2L3MBTL1
SCHEMBL18275266 0.73 METAP2 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19CXCR2

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 ALDH1A1 439/4885CYP1A2 32/4885CYP2C9 200/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885CYP1A2 32/4885CYP2C9 200/4885

“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.