SCHEMBL11943418

SCHEMBL11943418

COc1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCC3CCCCC3)CC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TRPV6 Q9H1D0 2/20 0.43
▸ ACHE P22303 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ DRD4 P21917 3/20 0.40
▸ DCTPP1 Q9H773 1/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL14080864 0.92 DRD2 (0.40) KDM4EALDH1A1LMNAHTTACHE
SCHEMBL11946604 0.91 CHRM4 (0.39) KDM4EALDH1A1LMNAHTTDRD2
SCHEMBL11943444 0.88 NPBWR1 (0.43) ALDH1A1LMNAACHETDP1DRD4
SCHEMBL11943355 0.87 BCL2L1 (0.44) LMNADRD2DRD3
SCHEMBL11943356 0.87 NPC1 (0.40) ALDH1A1LMNADRD2DCTPP1DRD3
SCHEMBL11943369 0.85 ALDH1A1 (0.41) KDM4EALDH1A1LMNAALOX15
SCHEMBL11943445 0.84 ALDH1A1 (0.49) KDM4EALDH1A1LMNAHTTDRD2
SCHEMBL11943381 0.83 FAAH (0.43) KDM4EALDH1A1LMNAHTTTRPV6
SCHEMBL11943447 0.82 NPC1 (0.40) KDM4EALDH1A1LMNAHTTDCTPP1
SCHEMBL11943461 0.82 MAPT (0.38) KDM4EALDH1A1LMNAHTTDRD2

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 KDM4E 1548/4885ALDH1A1 2437/4885LMNA 929/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 KDM4E 1706/4885ALDH1A1 2003/4885LMNA 1760/4885

“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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