SCHEMBL6488092

SCHEMBL6488092

O=C(O)/C=C1\NCCc2cc3c(cc21)OCO3

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL6488098 1.00 KDM4E (0.59) KDM4EKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6488102 1.00 KDM4E (0.59) KDM4EKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8370165 0.82 KMT2A (0.40) KDM4EKMT2AMEN1
SCHEMBL19721184 0.81 KDM4E (0.51) KDM4EKMT2AMEN1ALDH1A1ACHE
Noroxyhydrastinine SCHEMBL29745981 0.74 KDM4E (1.00) KDM4EACHECYP2D6
Noroxyhydrastinine SCHEMBL564339 0.74 KDM4E (1.00) KDM4EACHECYP2D6
SCHEMBL6476988 0.73 KMT2A (0.68) KDM4EKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6476994 0.73 KMT2A (0.68) KDM4EKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6476999 0.73 KMT2A (0.68) KDM4EKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6485264 0.70 PDPK1 (0.53) KDM4EKMT2AMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930114-B2 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-16 US disclosed
US-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-07-15 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-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors PDE7B, PDE2A, PDE5A KDM4E 714/4885KMT2A 1344/4885MEN1 2026/4885

“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.