SCHEMBL16449993

SCHEMBL16449993

COc1ccc2c(c1)nc(B(O)O)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.56
▸ ALDH1A1 P00352 9/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL14344232 0.77 MAPT (0.69) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL1104364 0.76 ALDH1A1 (0.55) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL5456024 0.76 ALDH1A1 (0.57) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL25443596 0.76 ALDH1A1 (0.55) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL3965377 0.76 ALDH1A1 (0.55) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL22230672 0.75 ALDH1A1 (0.62) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL10220402 0.73 ACSS2 (0.64) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL12963860 0.73 ALDH1A1 (0.56) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL12376560 0.73 PIK3CD (0.53) ACSS2ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL29957076 0.73 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2TDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045551-A1 FUSED AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 — — 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-20150045551-A1 FUSED AZOLE DERIVATIVE AVPR1B, AVPR1A, GRIN2B ACSS2 2125/4885ALDH1A1 1108/4885SMN1; SMN2 3869/4885

“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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