SCHEMBL12409504

SCHEMBL12409504

C/C=C/c1nc2ccccc2nc1OCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ELANE P08246 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 1/20 0.39
MAPT P10636 1/20 0.39
PADI4 Q9UM07 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12676972 0.84 EGFR (0.53) ALDH1A1GAAHRH4KDM4ELMNA
SCHEMBL7926375 0.81 ALDH1A1 (0.60) ALDH1A1GAAHRH4KDM4ELMNA
SCHEMBL7936491 0.81 MEN1 (0.41) ALDH1A1HRH4KDM4ELMNAKMT2A
SCHEMBL27458779 0.80 HRH4 (0.59) ALDH1A1GAAHRH4KDM4ELMNA
SCHEMBL13595019 0.78 HRH4 (0.46) ALDH1A1GAAHRH4KDM4ELMNA
SCHEMBL12676963 0.78 RELA (0.49) ALDH1A1GAAKDM4ELMNANPC1
SCHEMBL13595004 0.78 CYP11B1 (0.49) ALDH1A1GAAHRH4KDM4EKMT2A
SCHEMBL12676965 0.78 HRH4 (0.46) ALDH1A1GAAHRH4KDM4ELMNA
SCHEMBL12676802 0.77 S100A4 (0.50) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL13595001 0.77 HRH4 (0.42) ALDH1A1GAAHRH4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B ALDH1A1 1520/4885GAA 1833/4885HRH4 285/4885
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A ALDH1A1 866/4885GAA 1065/4885HRH4 877/4885

“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.