SCHEMBL11943304

SCHEMBL11943304

COCCCNc1c(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 1/20 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
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ DCTPP1 Q9H773 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD11B1 P28845 3/20 0.42
▸ GAA P10253 1/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40

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 0.81 MAPT (0.53) ALDH1A1MAPTPOLBCYP2C19NPSR1
SCHEMBL11943197 0.81 ALDH1A1 (0.49) ALDH1A1MAPTPOLBCYP3A4CYP2C19
SCHEMBL11946583 0.80 ALDH1A1 (0.61) ALDH1A1MAPTPOLBCYP3A4CYP2C19
SCHEMBL11943207 0.80 ALDH1A1 (0.48) ALDH1A1MAPTPOLBCYP3A4CYP2C19
SCHEMBL13328853 0.80 ALDH1A1 (0.44) ALDH1A1MAPTPOLBCYP3A4CYP2C19
SCHEMBL11943286 0.79 ALDH1A1 (0.50) ALDH1A1MAPTPOLBCYP3A4CYP2C19
SCHEMBL11943203 0.79 ALDH1A1 (0.47) ALDH1A1MAPTPOLBCYP3A4CYP2C19
SCHEMBL11954274 0.78 ALDH1A1 (0.64) ALDH1A1MAPTPOLBCYP3A4CYP2C19
SCHEMBL11943300 0.78 HTT (0.56) ALDH1A1MAPTPOLBCYP3A4CYP2C19
SCHEMBL11946600 0.78 LMNA (0.52) ALDH1A1MAPTPOLBDCTPP1L3MBTL1

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 2295/4885POLB 1088/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885MAPT 3651/4885POLB 1016/4885

“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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