SCHEMBL10102481

SCHEMBL10102481

[C-]#[N+]c1ccccc1OCCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
RBP4 P02753 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL29777971 0.80 ALDH1A1 (0.43) HRH1ALDH1A1KDM4ERBP4L3MBTL1
SCHEMBL524847 0.79 ALDH1A1 (0.44) HRH1F13A1TGM2TGM1ALDH1A1
SCHEMBL7367495 0.77 ALDH1A1 (0.58) F13A1TGM2TGM1ALDH1A1HDAC1
SCHEMBL19384151 0.77 HRH1 (0.46) HRH1F13A1TGM2TGM1ALDH1A1
SCHEMBL10102483 0.77 ALDH1A1 (0.40) HRH1F13A1TGM2TGM1ALDH1A1
SCHEMBL524534 0.76 HDAC1 (0.39) HRH1F13A1TGM2TGM1ALDH1A1
SCHEMBL19384145 0.74 HDAC1 (0.38) HRH1F13A1TGM2TGM1ALDH1A1
SCHEMBL7747964 0.74 ALDH1A1 (0.47) F13A1TGM2TGM1ALDH1A1HDAC1
SCHEMBL19384156 0.73 CTSL (0.38) HRH1F13A1TGM2TGM1ALDH1A1
SCHEMBL13181407 0.73 LTB4R (0.56) F13A1TGM2TGM1ALDH1A1MAPT

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 3 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-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 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 (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 HRH1 602/4885F13A1 4063/4885TGM2 2599/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 HRH1 509/4885F13A1 3972/4885TGM2 2605/4885

“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.