SCHEMBL742552

SCHEMBL742552

CCOC(=O)C(CCCc1ccncc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 6/20 0.46
MAPK1 P28482 4/20 0.46
NAMPT P43490 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
CYP19A1 P11511 1/20 0.43
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40

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
SCHEMBL6646153 0.90 NAMPT (0.47) TDP1MEN1KMT2AL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL7205435 0.89 NAMPT (0.46) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL9670491 0.89 TDP1 (0.57) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL6714506 0.84 TDP1 (0.65) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL11205643 0.84 MEN1 (0.65) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL10713540 0.82 TDP1 (0.53) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL11205217 0.81 TDP1 (0.51) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL11038591 0.81 PPARA (0.51) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL13009606 0.81 TDP1 (0.50) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL2672559 0.80 MMP8 (0.54) KMT2AL3MBTL1NAMPTALDH1A1CYP19A1

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-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 US disclosed
US-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 US disclosed
EP-2431365-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-03-21 EP disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
WO-2010131738-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF 日本たばこ産業株式会社 (JP) 2010-11-18 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 (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-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP2C9, QDPR TDP1 4056/4885MEN1 664/4885KMT2A 2829/4885

“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.