SCHEMBL14539442

SCHEMBL14539442

COC(=O)/C=C/c1cccc2c1NCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CCNC P24863 1/20 0.37

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
SCHEMBL13638414 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3105348 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3105338 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10438847 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL69522 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL294839 0.72 PARP1 (0.40) ALDH1A1MAPTMEN1KMT2AMAOB
SCHEMBL10661545 0.72 KDM4E (0.45) ALDH1A1KDM4EHSD17B10SRC
SCHEMBL31562070 0.72 KDM4E (0.45) ALDH1A1KDM4EHSD17B10SRC
SCHEMBL11061667 0.71 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9251499 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A

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-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 — — 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-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR2C, HTR5A, HTR6 ALDH1A1 1743/4885KDM4E 3935/4885MAPT 1263/4885

“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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