SCHEMBL2236285

SCHEMBL2236285

CC(C)(C)OC(=O)N1CCC/C(=C\c2ncn3c2CCCc2ccccc2-3)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.36
CTSK P43235 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL2234771 0.95 NOTUM (0.36) NOTUMSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL2233990 0.87
SCHEMBL2234001 0.87
SCHEMBL2232901 0.86 GRM5 (0.38) KMT2AMEN1
SCHEMBL2355410 0.85 DTYMK (0.33) KMT2AMEN1
SCHEMBL2235353 0.85 GABRA1 (0.35) NOTUMKMT2AMEN1
SCHEMBL2233683 0.84 KDM4E (0.41) TSHRKMT2AMEN1ALDH1A1
SCHEMBL2233671 0.84 NOTUM (0.35) NOTUMKMT2AMEN1
SCHEMBL2234012 0.84 BUB1 (0.33) ALDH1A1
SCHEMBL2234009 0.84 BUB1 (0.33) ALDH1A1

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
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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 (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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 NOTUM 547/4885SMN1; SMN2 4075/4885TSHR 48/4885

“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.