SCHEMBL11943197

SCHEMBL11943197

O=c1c(NCCOc2ccccc2)c(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ GBA1 P04062 2/20 0.44
▸ POLB P06746 1/20 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

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
SCHEMBL11943304 0.81 ALDH1A1 (0.51) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11943193 0.81 MAPT (0.52) ALDH1A1POLBMAPTKMT2ADCTPP1
SCHEMBL11943284 0.79 ALDH1A1 (0.51) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL11943196 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C19L3MBTL1MAPT
SCHEMBL13304784 0.75 MAPT (0.44) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL11946583 0.75 ALDH1A1 (0.61) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL11943286 0.75 ALDH1A1 (0.50) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL11954274 0.73 ALDH1A1 (0.64) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL11943300 0.73 HTT (0.56) ALDH1A1GBA1POLBCYP3A4CYP2C19
SCHEMBL11943183 0.73 ALDH1A1 (0.58) ALDH1A1POLBCYP3A4CYP2C19PPARG

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 2437/4885HDAC3 1095/4885HDAC4 1209/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885HDAC3 2738/4885HDAC4 1854/4885

“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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