SCHEMBL11943355

SCHEMBL11943355

O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3cccc(O)c3)CC2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.44
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CHRM4 P08173 4/20 0.41
▸ MIF P14174 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL11943356 0.94 NPC1 (0.40) DRD2DRD3CHRM4MIFLMNA
SCHEMBL11943444 0.91 NPBWR1 (0.43) MIFLMNAMAPTNPC1RAB9A
SCHEMBL11943369 0.90 ALDH1A1 (0.41) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL11943381 0.90 FAAH (0.43) DRD2DRD3CHRM4LMNASMN1; SMN2
SCHEMBL11946604 0.88 CHRM4 (0.39) DRD2CHRM4MIFLMNAMAPT
SCHEMBL11943418 0.87 KDM4E (0.46) DRD2DRD3LMNA
SCHEMBL11943461 0.87 MAPT (0.38) DRD2MIFLMNAMAPTNPC1
SCHEMBL11943447 0.85 NPC1 (0.40) MIFLMNAMAPTNPC1RAB9A
SCHEMBL11943364 0.85 MAPK14 (0.41) DRD2DRD3MIFLMNAMAPT
SCHEMBL14080864 0.84 DRD2 (0.40) DRD2DRD3LMNAMAPTMEN1

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 BCL2L1 4525/4885DRD2 4876/4885DRD3 4829/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 BCL2L1 4661/4885DRD2 4866/4885DRD3 4865/4885

“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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