SCHEMBL3130132

SCHEMBL3130132

COc1cc([N+](=O)[O-])ccc1-c1cc2ccccc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ GRIA1 P42261 1/20 0.43
▸ GRIA2 P42262 1/20 0.43
▸ GRIA3 P42263 1/20 0.43
▸ GRIA4 P48058 1/20 0.43
▸ AMY1A P0DUB6 2/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3908390 0.88 HTT (0.44) HTTCHEK1KDRMEN1KMT2A
SCHEMBL7532104 0.80 KDM4E (0.65) CHEK1KDRMEN1KMT2ANPC1
SCHEMBL8987068 0.78 KDR (0.54) CHEK1KDRMEN1KMT2ANPC1
SCHEMBL3136890 0.76 XDH (0.56) HTTMEN1KMT2APOLBMAPT
SCHEMBL31444686 0.75 GRIA1 (0.55) HTTPOLBMAPTPARP1GRIA1
SCHEMBL3135299 0.75 HTT (0.45) HTTMEN1KMT2APOLBMAPT
SCHEMBL3680545 0.74 HTT (0.50) HTTMEN1KMT2AMAPTAMY1A
SCHEMBL3185913 0.73 HTT (0.58) HTTPOLBRAB9AALDH1A1HPGD
SCHEMBL31398830 0.72 BRD4 (0.59) CHEK1KDRMEN1KMT2ANPC1
SCHEMBL250338 0.72 BRD4 (0.59) CHEK1KDRMEN1KMT2ANPC1

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
EP-2021333-B1 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S (IT) 2010-07-14 — — EP disclosed
US-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2009-08-13 — — US disclosed
US-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2009-08-13 — — US disclosed
US-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2009-08-13 — — US disclosed
WO-2007135565-A2 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2007-11-29 — — 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 (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-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF MKI67, CCNA1, CCNI HTT 2001/4885CHEK1 276/4885KDR 1402/4885

“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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