SCHEMBL11943203

SCHEMBL11943203

COCCCNc1c(N2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DCTPP1 Q9H773 3/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FPR2 P25090 4/20 0.39
▸ PROKR1 Q8TCW9 4/20 0.39
▸ GAA P10253 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 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
SCHEMBL11943296 0.80 MAPT (0.53) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11943304 0.79 ALDH1A1 (0.51) ALDH1A1MAPTDCTPP1POLBLMNA
SCHEMBL11943207 0.75 ALDH1A1 (0.48) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11946583 0.75 ALDH1A1 (0.61) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11943189 0.74 MAPT (0.47) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL13304479 0.74 SMN1; SMN2 (0.55) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11943183 0.73 ALDH1A1 (0.58) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11943609 0.72 MAPT (0.50) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL13328853 0.72 ALDH1A1 (0.44) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL13329621 0.72 ALDH1A1 (0.47) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB

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 5 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-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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