SCHEMBL11943286

SCHEMBL11943286

CCCCc1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCCOCC)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 1/20 0.45
▸ DCTPP1 Q9H773 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37

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
SCHEMBL11943192 0.84 MAPT (0.54) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL11946583 0.83 ALDH1A1 (0.61) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL11943609 0.83 MAPT (0.50) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL13304479 0.81 SMN1; SMN2 (0.55) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL11946600 0.80 LMNA (0.52) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL11943304 0.79 ALDH1A1 (0.51) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL11943612 0.79 MAPT (0.41) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL11945030 0.79 ALDH1A1 (0.56) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL11943532 0.79 MAPT (0.43) ALDH1A1MAPTDCTPP1KDM4EPOLB
SCHEMBL11943541 0.79 MAPT (0.43) ALDH1A1MAPTDCTPP1KDM4EPOLB

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 2295/4885DCTPP1 625/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885MAPT 3651/4885DCTPP1 209/4885

“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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