SCHEMBL11943427

SCHEMBL11943427

CCOc1ccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCCCC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ DCTPP1 Q9H773 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ FAAH O00519 2/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ NPBWR1 P48145 1/20 0.41
▸ MAPK1 P28482 3/20 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
SCHEMBL11943360 0.90 ALDH1A1 (0.53) ALDH1A1DCTPP1RXFP1HRH3POLB
SCHEMBL14081533 0.89 ALDH1A1 (0.46) ALDH1A1DCTPP1HRH3POLBMAPT
SCHEMBL11943445 0.88 ALDH1A1 (0.49) ALDH1A1DCTPP1RXFP1HRH3POLB
SCHEMBL11943403 0.86 ALDH1A1 (0.55) ALDH1A1DCTPP1RXFP1POLBMAPT
SCHEMBL14080963 0.85 NPC1 (0.43) ALDH1A1DCTPP1HRH3POLBMAPT
SCHEMBL11943351 0.84 FAAH (0.49) ALDH1A1DCTPP1MAPTKDM4ELMNA
SCHEMBL11943442 0.83 ALDH1A1 (0.42) ALDH1A1POLBMAPTKDM4ELMNA
SCHEMBL11943345 0.83 NPC1 (0.43) ALDH1A1DCTPP1RXFP1POLBMAPT
SCHEMBL11943451 0.83 NPC1 (0.43) ALDH1A1DCTPP1HRH3POLBMAPT
SCHEMBL11943414 0.83 NPC1 (0.40) ALDH1A1DCTPP1HRH3POLBMAPT

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 7 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
WO-2008115385-A2 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO 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 2437/4885DCTPP1 625/4885RXFP1 3786/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885DCTPP1 209/4885RXFP1 4060/4885

“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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