SCHEMBL11943300

SCHEMBL11943300

O=c1c(NCCc2ccccc2)c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ GBA1 P04062 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL11943105 0.85 SMO (0.49) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL11943293 0.80 MAPT (0.56) ALDH1A1LMNAPOLBKMT2AMAPT
SCHEMBL11943304 0.78 ALDH1A1 (0.51) HTTALDH1A1LMNAKDM4EPOLB
SCHEMBL11943297 0.76 MAPT (0.46) HTTALDH1A1KDM4EPOLBCYP3A4
SCHEMBL11943197 0.73 ALDH1A1 (0.49) ALDH1A1USP2KDM4EPOLBGBA1
SCHEMBL13328841 0.73 MAPT (0.41) HTTALDH1A1LMNAPOLBCYP3A4
SCHEMBL11943298 0.73 SMN1; SMN2 (0.43) HTTALDH1A1LMNAPOLBCYP3A4
SCHEMBL11946600 0.72 LMNA (0.52) HTTALDH1A1LMNAUSP2KDM4E
SCHEMBL11943286 0.72 ALDH1A1 (0.50) ALDH1A1LMNAUSP2KDM4EPOLB
SCHEMBL11943311 0.72 POLB (0.47) ALDH1A1LMNAUSP2KDM4EPOLB

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 HTT 4637/4885ALDH1A1 2437/4885LMNA 929/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 HTT 4833/4885ALDH1A1 2003/4885LMNA 1760/4885

“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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