SCHEMBL558594

SCHEMBL558594

CCOC(OCC)C(N)=NCc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ EPHX1 P07099 2/20 0.36
▸ IDO1 P14902 4/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL1824026 0.83 NOS2 (0.53) NOS2
SCHEMBL1681424 0.68 KMT2A (0.50) —
SCHEMBL13516238 0.67 PPARA (0.42) IDO1PPARGPPARAPPARD
SCHEMBL13430494 0.66 PPARA (0.41) IDO1PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL29379697 0.66 TAAR1 (0.69) —
SCHEMBL558231 0.65 MEN1 (0.42) —
SCHEMBL13479525 0.63 TAAR1 (0.42) IDO1PPARGPPARAPPARD
SCHEMBL15309561 0.63 SLC6A2 (0.46) PPARGPPARAPPARD
SCHEMBL7931858 0.63 PPARA (0.39) IDO1PPARGPPARAPPARD
SCHEMBL27294941 0.63 TAAR1 (0.42) NOS1NOS2NOS3

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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 — — EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 — — WO 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 NOS1 433/4885NOS2 527/4885NOS3 431/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 NOS1 433/4885NOS2 527/4885NOS3 431/4885

“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.

Send feedback