SCHEMBL524847

SCHEMBL524847

CN(CCOc1ccccc1C#N)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
HRH1 P35367 1/20 0.40
XDH P47989 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
F13A1 P00488 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
SCHEMBL19384151 0.84 HRH1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HRH1
SCHEMBL3470698 0.83 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7425797 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL19384156 0.80 CTSL (0.38) ALDH1A1SMN1; SMN2HRH1KDM4ETP53
SCHEMBL29777971 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1TSHRHRH1KDM4E
SCHEMBL10102481 0.79 HRH1 (0.40) ALDH1A1SMN1; SMN2HPGDHRH1KDM4E
SCHEMBL7367495 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMAPK1HPGDF13A1
SCHEMBL10102483 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDHRH1KDM4E
SCHEMBL524534 0.76 HDAC1 (0.39) ALDH1A1SMN1; SMN2HRH1KDM4ETP53
SCHEMBL6644583 0.74 HTR7 (0.57) ALDH1A1SMN1; SMN2MAPK1KDM4E

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
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 US disclosed
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 US disclosed
EP-2379174-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-10-26 EP 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 ALDH1A1 1934/4885MEN1 4771/4885KMT2A 493/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 ALDH1A1 1798/4885MEN1 4725/4885KMT2A 503/4885

“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.