SCHEMBL11943422

SCHEMBL11943422

O=c1c(OCc2ccccc2)c(N2CCN(Cc3cc(O)cc(O)c3)CC2)cnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.45
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ NPBWR1 P48145 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ DCTPP1 Q9H773 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ DRD4 P21917 1/20 0.40
▸ AVPR1A P37288 1/20 0.40

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
SCHEMBL14081538 0.94 MAPK14 (0.41) MAPK14LMNAMAPTDRD2DRD3
SCHEMBL14082776 0.89 MAPK14 (0.44) MAPK14LMNAMAPTDRD2DRD3
SCHEMBL11943401 0.87 ALDH1A1 (0.47) MAPK14LMNAMAPTDRD2DRD3
SCHEMBL14080954 0.86 ALDH1A1 (0.51) MAPK14LMNAMAPTDRD2DRD3
SCHEMBL11943344 0.86 SMN1; SMN2 (0.42) LMNAMAPTDRD2DRD3BCL2L1
SCHEMBL11943328 0.85 MAPK14 (0.44) MAPK14LMNAMAPTDRD2DRD3
SCHEMBL11943345 0.85 NPC1 (0.43) LMNAMAPTDRD2DRD3NPC1
SCHEMBL11943356 0.85 NPC1 (0.40) LMNAMAPTDRD2DRD3NPC1
SCHEMBL11943338 0.84 ALDH1A1 (0.51) MAPK14LMNAMAPTDRD2DRD3
SCHEMBL11943324 0.84 CYP2D6 (0.53) MAPK14LMNAMAPTDRD2DRD3

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 MAPK14 2023/4885LMNA 929/4885MAPT 2295/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 MAPK14 936/4885LMNA 1760/4885MAPT 3651/4885

“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.

Send feedback