SCHEMBL3545315

SCHEMBL3545315

CN(C)CCCNC(=O)c1ccc(N)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
TMEM97 Q5BJF2 3/20 0.55
SIGMAR1 Q99720 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
MAPK14 Q16539 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
AGTR1 P30556 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 1/20 0.47
HDAC3 O15379 1/20 0.46

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
SCHEMBL3435195 0.92 LMNA (0.52) HPGDTMEM97SIGMAR1MEN1KMT2A
SCHEMBL2951611 0.87 HPGD (0.59) HPGDTMEM97SIGMAR1MEN1KMT2A
SCHEMBL18768847 0.87 TMEM97 (0.69) HPGDTMEM97SIGMAR1MEN1KMT2A
SCHEMBL13575474 0.85 HPGD (0.57) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL5924325 0.85 HPGD (0.57) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL3435778 0.85 SMN1; SMN2 (0.60) HPGDKDM4EALDH1A1POLBHTT
SCHEMBL10081936 0.85 HPGD (0.59) HPGDTMEM97SIGMAR1KMT2AKDM4E
SCHEMBL13575487 0.84 HPGD (0.56) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL13575595 0.84 HPGD (0.56) HPGDTMEM97SIGMAR1MEN1KMT2A
SCHEMBL17322831 0.84 HPGD (0.56) HPGDMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 HPGD 307/4885TMEM97 1738/4885SIGMAR1 640/4885

“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.