SCHEMBL5069119

SCHEMBL5069119

Oc1ccc(CCN=Cc2ccncc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.66
CA2 P00918 11/20 0.62
CA1 P00915 9/20 0.62
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
CA9 Q16790 6/20 0.46
CA7 P43166 2/20 0.46
MAPT P10636 1/20 0.44
CA12 O43570 4/20 0.43
MIF P14174 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MEN1 O00255 1/20 0.41
BCHE P06276 1/20 0.40
SHBG P04278 1/20 0.40

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
SCHEMBL5069118 1.00 TAAR1 (0.66) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL7396578 0.83 TAAR1 (0.87) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL4257064 0.78 CA2 (0.53) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL4257061 0.78 CA2 (0.53) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL28155671 0.78 TAAR1 (0.82) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL21543817 0.75 TAAR1 (0.64) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL21543818 0.75 TAAR1 (0.64) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL5070825 0.75 TAAR1 (0.64) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL5070824 0.75 TAAR1 (0.64) TAAR1CA2CA1ALDH1A1KMT2A
SCHEMBL31140006 0.75 TAAR1 (0.64) TAAR1CA2CA1ALDH1A1KMT2A

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-7432228-B2 Inhibitor against biosynthesis of abscisic acid RIKEN (JP) 2008-10-07 US disclosed
US-7098365-B2 Abscisic acid biosynthesis inhibitor RIKEN (JP) 2006-08-29 US disclosed
US-20060148650-A1 Inhibitor against biosynthesis of abscisic acid RIKEN (JP) 2006-07-06 US disclosed
US-20050014651-A1 Abscisic acid biosynthesis inhibitor RIKEN (JP) 2005-01-20 US disclosed
EP-1439165-A1 ABSCISIC ACID BIOSYNTHESIS INHIBITOR Riken (JP) 2004-07-21 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 (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-20060148650-A1 Inhibitor against biosynthesis of abscisic acid COASY, BLVRB, ME1 TAAR1 2570/4885CA2 1557/4885CA1 3294/4885
US-20050014651-A1 Abscisic acid biosynthesis inhibitor COASY, BLVRB, ME1 TAAR1 2252/4885CA2 1210/4885CA1 2434/4885

“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.