SCHEMBL11943441

SCHEMBL11943441

Cc1cccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCN(Cc4ccccc4)CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL11943442 0.94 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EACHEBACE1
SCHEMBL11943368 0.91 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHTR1ADRD2
SCHEMBL14082718 0.88 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHTR1ADRD2
SCHEMBL14080963 0.86 NPC1 (0.43) ALDH1A1MAPTROCK2CCR2ROCK1
SCHEMBL11943401 0.86 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHTR1ADRD2
SCHEMBL11943399 0.85 ALDH1A1 (0.44) ALDH1A1HTR1ADRD2
SCHEMBL14081533 0.85 ALDH1A1 (0.46) ALDH1A1MAPTDRD2NPBWR1MCHR1
SCHEMBL11943457 0.85 CYP2D6 (0.53) ALDH1A1KDM4EACHEHTR1ADRD2
SCHEMBL11943446 0.85 SIGMAR1 (0.46) ALDH1A1USP2LMNATSHRKMT2A
SCHEMBL11943329 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHTR1ADRD2

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 ALDH1A1 2437/4885MAPT 2295/4885KDM4E 1548/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885MAPT 3651/4885KDM4E 1706/4885

“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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