SCHEMBL11943321

SCHEMBL11943321

O=c1c(OCCOc2ccccc2)c(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ DRD3 P35462 3/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL11943324 0.90 CYP2D6 (0.53) CYP2D6ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL11943423 0.85 CYP2D6 (0.48) CYP2D6ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL11943432 0.84 CYP2D6 (0.48) CYP2D6ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL11943396 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10DRD2DRD3
SCHEMBL11943457 0.84 CYP2D6 (0.53) CYP2D6ALDH1A1KDM4EHSD17B10DRD2
SCHEMBL11943407 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EDRD2DRD3DRD4
SCHEMBL17058482 0.79 HSD17B10 (0.50) CYP2D6ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL11943377 0.77 NPBWR1 (0.48) ALDH1A1MAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL11943329 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10DRD2DRD3
SCHEMBL11943330 0.76 LMNA (0.46) CYP2D6ALDH1A1MAPK1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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 (2 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA CYP2D6 403/4885ALDH1A1 2437/4885MAPK1 1289/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 CYP2D6 1010/4885ALDH1A1 2003/4885MAPK1 775/4885

“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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