SCHEMBL17088991

SCHEMBL17088991

CCCCOc1ccc(C(=O)Cc2ccncc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
STAT3 P40763 1/20 0.60
CYP2D6 P10635 3/20 0.58
NPC1 O15118 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ALPI P09923 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
THRB P10828 1/20 0.55
KDM4E B2RXH2 1/20 0.52
PDE4A P27815 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL17088193 0.88 KMT2A (0.67) LMNASMN1; SMN2NPC1
SCHEMBL6201125 0.85 HRH2 (0.61) SMN1; SMN2CYP2D6NPC1CYP1A2L3MBTL1
SCHEMBL12188828 0.84 MAPT (0.62) LMNASMN1; SMN2CYP2D6NPC1CYP1A2
SCHEMBL12733007 0.83 L3MBTL1 (0.68) LMNASMN1; SMN2CYP2D6NPC1CYP1A2
SCHEMBL6280945 0.82 ALDH1A1 (0.56) LMNASMN1; SMN2NPC1THRBTSHR
SCHEMBL2522956 0.81 NPC1 (0.59) LMNASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL7949019 0.81 LMNA (0.54) LMNASMN1; SMN2STAT3CYP2D6NPC1
SCHEMBL8371452 0.81 LMNA (0.68) LMNASMN1; SMN2CYP2D6NPC1CYP3A4
SCHEMBL2354288 0.79 PLA2G4B (0.60) LMNASMN1; SMN2CYP2D6CYP1A2THRB
SCHEMBL6282350 0.79 THRA (0.61) THRB

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-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 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-20160058894-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A LMNA 1232/4885SMN1; SMN2 1308/4885STAT3 4795/4885

“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.