SCHEMBL5066649

SCHEMBL5066649

NC(Cc1ccncc1)Cc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ OPRK1 P41145 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.48
▸ SLC6A4 P31645 2/20 0.47
▸ EPHX1 P07099 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ ABAT P80404 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ PRKCI P41743 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
SCHEMBL5742166 0.81 CYP1A2 (0.48) SLC6A2SLC6A4EPHX1CYP3A4CYP1A2
SCHEMBL5742009 0.81 CYP1A2 (0.48) SLC6A2SLC6A4EPHX1CYP3A4CYP1A2
SCHEMBL6092768 0.81 CYP1A2 (0.48) SLC6A2SLC6A4EPHX1CYP3A4CYP1A2
SCHEMBL27549428 0.79 EPHX1 (0.74) TAAR1SLC6A2OPRK1SLC7A5SLC6A4
Hydrochloric Acid SCHEMBL22264027 0.79 CYP1A2 (0.47) SLC6A2SLC6A4EPHX1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL21144792 0.79 CYP1A2 (0.47) SLC6A2SLC6A4EPHX1CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL21144790 0.79 CYP1A2 (0.47) SLC6A2SLC6A4EPHX1CYP3A4CYP1A2
SCHEMBL80783 0.79 TAAR1 (0.61) TAAR1SLC6A2OPRK1SLC7A5SLC6A4
SCHEMBL148531 0.79 TAAR1 (0.61) TAAR1SLC6A2OPRK1SLC7A5SLC6A4
SCHEMBL2992550 0.79 TAAR1 (0.61) TAAR1SLC6A2OPRK1SLC7A5SLC6A4

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 2570/4885SLC6A2 4150/4885OPRK1 4273/4885
US-20050014651-A1 Abscisic acid biosynthesis inhibitor COASY, BLVRB, ME1 TAAR1 2252/4885SLC6A2 4208/4885OPRK1 4428/4885

“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.

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