SCHEMBL9967741

SCHEMBL9967741

CCOc1ccc(NC(=O)CN2CCCCC2)cc1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
LMNA P02545 1/20 0.51
TERT O14746 1/20 0.50

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
SCHEMBL16638505 0.89 ALDH1A1 (0.55) POLBMEN1KMT2AATMALDH1A1
SCHEMBL257065 0.86 TDP1 (0.60) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL16638507 0.83 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL16638506 0.82 L3MBTL1 (0.59) TDP1POLBMEN1KMT2AL3MBTL1
SCHEMBL10239972 0.77 RORC (0.67) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL256087 0.74 MEN1 (0.59) POLBMEN1KMT2AATMALDH1A1
SCHEMBL9967740 0.74 SMN1; SMN2 (0.61) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10169452 0.74 NPC1 (0.67) TDP1POLBMEN1KMT2AL3MBTL1
SCHEMBL18626568 0.73 POLB (0.72) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL14537720 0.72 TSHR (0.75) TDP1POLBMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 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 (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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD TDP1 1983/4885POLB 1513/4885MEN1 3414/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD TDP1 1983/4885POLB 1513/4885MEN1 3414/4885

“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.