SCHEMBL11944440

SCHEMBL11944440

CS(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2CCc3ccccc3C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ DCTPP1 Q9H773 1/20 0.49
▸ HPGDS O60760 6/20 0.44
▸ POLB P06746 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 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
SCHEMBL11944856 0.94 ALDH1A1 (0.48) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL11945065 0.94 ALDH1A1 (0.53) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL11944686 0.92 ALDH1A1 (0.54) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL11944509 0.91 ALDH1A1 (0.49) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL11944916 0.89 ALDH1A1 (0.44) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL11945124 0.88 ALDH1A1 (0.52) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL11944478 0.87 POLB (0.43) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL11945150 0.87 ALDH1A1 (0.51) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL11945092 0.86 POLB (0.46) ALDH1A1DCTPP1HPGDSPOLBCYP3A4
SCHEMBL17057798 0.86 HTR2C (0.40) ALDH1A1HPGDSPOLBCYP3A4CYP2C19

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 ALDH1A1 2437/4885DCTPP1 625/4885HPGDS 558/4885

“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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