SCHEMBL11944645

SCHEMBL11944645

Nc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(C(F)(F)F)c4)c(=O)c3OC3CCCC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPBWR1 P48145 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36

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
SCHEMBL11944647 0.93 HTR1A (0.41) MAPTCYP3A4CYP2C19TSHRALDH1A1
SCHEMBL11944245 0.93 MAPT (0.44) MAPTCYP3A4CYP2C19ALDH1A1NPBWR1
SCHEMBL11944650 0.90 ENPP2 (0.38) MAPTCYP3A4CYP2C19ALDH1A1NPBWR1
SCHEMBL11945191 0.89 POLB (0.46) MAPTCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11944194 0.89 POLB (0.46) MAPTCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11944285 0.88 CYP3A4 (0.45) MAPTCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11945274 0.88 POLB (0.46) MAPTCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11944488 0.87 MAPT (0.39) MAPTCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL11944648 0.86 MET (0.41) MAPTCYP3A4CYP2C19ALDH1A1NPBWR1
SCHEMBL11944135 0.86 LMNA (0.45) MAPTCYP3A4CYP2C19TSHRALDH1A1

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 4 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-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 (1 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 MAPT 2295/4885CYP3A4 281/4885CYP2C19 461/4885

“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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