SCHEMBL13865932

SCHEMBL13865932

COCOc1cc(COC2CCCCO2)cc2nc(OC)c(-c3cccc(C(=O)O)c3F)nc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.37
▸ EP300 Q09472 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ICAM1 P05362 1/20 0.32
▸ SELE P16581 1/20 0.32
▸ CFTR P13569 6/20 0.32
▸ RORC P51449 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MRGPRX4 Q96LA9 2/20 0.31

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
SCHEMBL13865931 0.93 CREBBP (0.35) CREBBPEP300ICAM1SELENPC1
SCHEMBL13866018 0.87 CREBBP (0.34) CREBBPEP300MEN1KMT2ACFTR
SCHEMBL13865937 0.85 CREBBP (0.30) CREBBP
SCHEMBL13865938 0.79 GYS1 (0.32) CREBBPEP300MEN1KMT2A
SCHEMBL13866028 0.79 CREBBP (0.33) CREBBPEP300ICAM1SELE
SCHEMBL13866022 0.76 EP300 (0.32) CREBBPEP300
SCHEMBL14176074 0.76 CREBBP (0.33) CREBBPEP300
SCHEMBL13866066 0.75 P2RX3 (0.32) —
SCHEMBL13865929 0.75 CHEK1 (0.36) MEN1KMT2AMRGPRX4
SCHEMBL13866043 0.75 TP53 (0.33) CREBBPEP300

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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 CREBBP 1662/4885EP300 2892/4885MEN1 996/4885

“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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