SCHEMBL11943209

SCHEMBL11943209

O=c1c(N2CCOCC2)c(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ DCTPP1 Q9H773 2/20 0.52
▸ POLB P06746 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL13329619 0.94 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ADCTPP1POLB
SCHEMBL11943202 0.83 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ADCTPP1POLB
SCHEMBL11943187 0.80 MAPT (0.56) ALDH1A1NPC1RAB9ADCTPP1POLB
SCHEMBL13304476 0.78 SMN1; SMN2 (0.65) ALDH1A1NPC1RAB9ADCTPP1POLB
SCHEMBL11943104 0.77 NPC1 (0.54) ALDH1A1NPC1RAB9ADCTPP1POLB
SCHEMBL11943110 0.77 DCTPP1 (0.49) ALDH1A1NPC1RAB9ADCTPP1MAPT
SCHEMBL13304485 0.76 NPC1 (0.65) ALDH1A1NPC1RAB9ADCTPP1POLB
SCHEMBL11943308 0.76 PKM (0.53) ALDH1A1NPC1RAB9APOLBCYP3A4
SCHEMBL11943178 0.75 ALDH1A1 (0.55) ALDH1A1NPC1DCTPP1POLBCYP3A4
SCHEMBL11943299 0.75 POLB (0.57) ALDH1A1NPC1RAB9ADCTPP1POLB

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 2437/4885NPC1 2179/4885RAB9A 4688/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885NPC1 2218/4885RAB9A 4434/4885

“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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