SCHEMBL8485997

SCHEMBL8485997

COCCCCOCc1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPK1 P28482 2/20 0.32
KDM1A O60341 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL25337982 0.77 NPC1 (0.46) L3MBTL1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL1355692 0.75
SCHEMBL7443950 0.75 TSHR (0.35) ALDH1A1L3MBTL1KDM4EHTTSMN1; SMN2
SCHEMBL11312017 0.72 GRM5 (0.32)
SCHEMBL8780689 0.72 HDAC8 (0.31)
SCHEMBL13262247 0.72 ALDH1A1 (0.33) ALDH1A1L3MBTL1KDM4ETSHRNPC1
SCHEMBL7533053 0.72 TSHR (0.37) ALDH1A1L3MBTL1HPGDSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL11317533 0.71 GRM5 (0.31)
SCHEMBL12561325 0.69 L3MBTL1 (0.60) ALDH1A1L3MBTL1KDM4ETDP1TSHR
SCHEMBL15923313 0.68 L3MBTL1 (0.63) L3MBTL1KDM4ESMN1; SMN2TDP1TSHR

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-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B ALDH1A1 1483/4885L3MBTL1 4542/4885KDM4E 635/4885

“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.