SCHEMBL524535

SCHEMBL524535

NC1(c2ccccc2OCCN(CCc2ccccc2)C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ALOX5 P09917 2/20 0.36
LMNA P02545 2/20 0.36
LPAR1 Q92633 3/20 0.36
LPAR5 Q9H1C0 3/20 0.36
HRH1 P35367 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 SCHEMBL523117 0.94 LPAR1 (0.37) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL3466840 0.80 KDM4E (0.45) L3MBTL1LMNAHRH1KDM4EALDH1A1
SCHEMBL19384155 0.78 HTR1D (0.56) L3MBTL1LMNA
SCHEMBL524022 0.74 LPAR1 (0.46) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL5933377 0.72 TDP1 (0.66) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL16524239 0.71 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL19384146 0.68 HTR1D (0.51) MEN1KMT2AL3MBTL1LMNAKDM4E
SCHEMBL19405089 0.68 HTR1D (0.53) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL4731326 0.67 TDP1 (0.58) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL451750 0.67 MAPT (0.46) TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 MEN1 4725/4885KMT2A 503/4885NPC1 1158/4885

“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.