SCHEMBL16638506

SCHEMBL16638506

CCOc1ccc(NC(=O)N2CCCC2)cc1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.50
HTT P42858 3/20 0.50
MEN1 O00255 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ABL1 P00519 1/20 0.49
POLB P06746 1/20 0.49
RIN1 Q13671 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.47

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
SCHEMBL16638507 0.99 L3MBTL1 (0.57) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9967740 0.89 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL256091 0.85 L3MBTL1 (0.61) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL256088 0.84 L3MBTL1 (0.60) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9967741 0.82 TDP1 (0.58) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL10239972 0.80 RORC (0.67) RAB9AALDH1A1KMT2AMAPTMEN1
SCHEMBL30088674 0.80 L3MBTL1 (0.55) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL38657757 0.76 MAPT (0.60) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16638505 0.75 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2AHTTMEN1
SCHEMBL257067 0.74 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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-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

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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD L3MBTL1 3190/4885NPC1 4035/4885RAB9A 783/4885

“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.