SCHEMBL2470919

SCHEMBL2470919

Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
HIF1A Q16665 1/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
HPGDS O60760 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
TSHR P16473 2/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL2472834 0.92 L3MBTL1 (0.52) HTTHIF1AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2471775 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1HPGDCD274HPGDS
SCHEMBL2469235 0.82 GABRA5 (0.55)
SCHEMBL4971152 0.81 ALDH1A1 (0.52) HTTHIF1AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2473270 0.81 GABRA5 (0.55) HIF1A
SCHEMBL2473672 0.81 KDM5B (0.44) KDM5B
SCHEMBL2472225 0.80 GABRA5 (0.51) SMN1; SMN2KMT2A
SCHEMBL2470788 0.79 MMP13 (0.50) HTTALDH1A1SMN1; SMN2
SCHEMBL2469011 0.79 GABRA5 (0.53) KMT2A
SCHEMBL2472211 0.79 GABRA5 (0.53) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 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 (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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 HTT 1798/4885HIF1A 2069/4885ALDH1A1 252/4885

“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.