SCHEMBL11943361

SCHEMBL11943361

COc1ccc(CCOc2c(N3CCN(Cc4cccc(C)c4)CC3)cnn(-c3ccccc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 5/20 0.47
▸ MCHR1 Q99705 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ SMO Q99835 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SIGMAR1 Q99720 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
SCHEMBL11943329 0.94 ALDH1A1 (0.46) NPBWR1MCHR1ALDH1A1SMOKDM4E
SCHEMBL11943430 0.91 ALDH1A1 (0.45) NPBWR1MCHR1ALDH1A1SMOKDM4E
SCHEMBL13329089 0.91 ALDH1A1 (0.43) NPBWR1MCHR1ALDH1A1KDM4ELMNA
SCHEMBL11943377 0.89 NPBWR1 (0.48) NPBWR1MCHR1ALDH1A1SMOKDM4E
SCHEMBL11943349 0.89 SMO (0.49) NPBWR1MCHR1ALDH1A1SMOKDM4E
SCHEMBL11943409 0.89 SMO (0.45) NPBWR1MCHR1ALDH1A1SMOKDM4E
SCHEMBL11943396 0.88 ALDH1A1 (0.45) NPBWR1MCHR1ALDH1A1KDM4ELMNA
SCHEMBL11943424 0.86 SMO (0.44) NPBWR1MCHR1ALDH1A1SMOKDM4E
SCHEMBL11943374 0.86 MCHR1 (0.56) NPBWR1MCHR1ALDH1A1SMOKDM4E
SCHEMBL11943401 0.85 ALDH1A1 (0.47) ALDH1A1SMOKDM4ELMNAHTT

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 NPBWR1 4643/4885MCHR1 4513/4885ALDH1A1 2437/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NPBWR1 3390/4885MCHR1 4374/4885ALDH1A1 2003/4885

“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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