SCHEMBL2234771

SCHEMBL2234771

CC(C)(C)OC(=O)N1CCC/C(=C\c2ncn3c2CCc2ccccc2-3)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
CTSK P43235 1/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL2236285 0.95 NOTUM (0.38) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2233683 0.89 KDM4E (0.41) TSHRMEN1KMT2A
SCHEMBL2237173 0.89 KDM4E (0.35)
SCHEMBL2234012 0.89 BUB1 (0.33)
SCHEMBL2234009 0.89 BUB1 (0.33)
SCHEMBL2233990 0.88
SCHEMBL2234001 0.88
SCHEMBL2234658 0.88 PDK1 (0.36) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2355410 0.88 DTYMK (0.33) MEN1KMT2A
SCHEMBL2235353 0.88 GABRA1 (0.35) NOTUMMEN1KMT2A

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.