SCHEMBL12693765

SCHEMBL12693765

CCc1cnc(NC[C@@H](C)O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ESR1 P03372 1/20 0.38
▸ HCAR3 P49019 3/20 0.36
▸ HCAR2 Q8TDS4 2/20 0.36
▸ PCSK9 Q8NBP7 5/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ HCRTR1 O43613 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ TYK2 P29597 2/20 0.31
▸ KDR P35968 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ AURKB Q96GD4 2/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL17082526 1.00 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2ESR1HCAR3
SCHEMBL15382054 0.79 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2HCAR3HCAR2
SCHEMBL15382066 0.79 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2HCAR3HCAR2
SCHEMBL12693705 0.77 HCAR3 (0.42) ESR1HCAR3HCRTR1
SCHEMBL12693737 0.76 HCAR3 (0.41) ALDH1A1KDM4EESR1HCAR3HCAR2
SCHEMBL12690881 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HCAR3HCAR2
SCHEMBL21016945 0.74 HCAR3 (0.45) ALDH1A1SMN1; SMN2ESR1HCAR3HCRTR1
SCHEMBL17353647 0.71 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2PCSK9MKNK1
SCHEMBL12693702 0.71 HCAR3 (0.34) HCAR3HCRTR1
SCHEMBL19699499 0.71 SMN1; SMN2 (0.45) ALDH1A1KDM4ESMN1; SMN2HCAR3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619196-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-09-16 — — EP disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 — — 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 (1 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-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 ALDH1A1 641/4885KDM4E 3731/4885SMN1; SMN2 4210/4885

“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.

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