SCHEMBL524534

SCHEMBL524534

CN(CCOc1ccccc1C1(N)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH1 P35367 1/20 0.38
TP53 P04637 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
RBP4 P02753 2/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL523116 0.94 RBP4 (0.39) HDAC1SIGMAR1HRH1TP53ALDH1A1
SCHEMBL20854266 0.89 F13A1 (0.39) SIGMAR1TP53F13A1TGM2TGM1
SCHEMBL10102483 0.88 ALDH1A1 (0.40) HDAC1SIGMAR1HRH1TP53F13A1
SCHEMBL19384145 0.87 HDAC1 (0.38) HDAC1SIGMAR1HRH1TP53F13A1
SCHEMBL3466840 0.85 KDM4E (0.45) HRH1ALDH1A1KDM4ESMN1; SMN2RBP4
SCHEMBL19384156 0.84 CTSL (0.38) HDAC1SIGMAR1HRH1TP53F13A1
SCHEMBL3468335 0.79 PDK2 (0.40) ALDH1A1KDM4ESMN1; SMN2RBP4
Trifluoroacetic Acid SCHEMBL3468332 0.79 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2RBP4L3MBTL1
SCHEMBL19384155 0.77 HTR1D (0.56) SMN1; SMN2DRD2DRD1DRD4DRD5
SCHEMBL29777971 0.77 ALDH1A1 (0.43) HRH1ALDH1A1KDM4ERBP4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190100498-A1 CRYSTALLINE FORM ASTRAZENECA AB (SE) 2019-04-04 US disclosed
US-20190100498-A1 CRYSTALLINE FORM ASTRAZENECA AB (SE) 2019-04-04 US disclosed
WO-2017162304-A1 CRYSTALLINE FORM ASTRAZENECA AB (SE) 2017-09-28 WO 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
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 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-20190100498-A1 CRYSTALLINE FORM GYS2, PYGL, SFPQ HDAC1 1506/4885SIGMAR1 1498/4885HRH1 4086/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 HDAC1 88/4885SIGMAR1 1901/4885HRH1 509/4885

“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.