SCHEMBL11945428

SCHEMBL11945428

CCC(=O)OC[C@@H]1[C@@H](COc2c(N3CCN(S(=O)(=O)Cc4ccc([N+](=O)[O-])cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 4/20 0.35
▸ NOD2 Q9HC29 4/20 0.35
▸ NOD1 Q9Y239 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32

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
SCHEMBL11945430 0.91 MAPT (0.35) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11945432 0.91 MAPT (0.41) MAPTALDH1A1POLBCYP3A4CYP2C19
SCHEMBL11945303 0.88 MAPT (0.34) TNFNOD2NOD1RAB9ANPC1
SCHEMBL11946129 0.82 MAPT (0.37) TNFNOD2NOD1RAB9ANPC1
SCHEMBL11945261 0.82 ALDH1A1 (0.35) TNFNOD2NOD1RAB9ANPC1
SCHEMBL11945376 0.82 POLB (0.41) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL11945370 0.81 MAPT (0.40) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL11944451 0.81 ALDH1A1 (0.33) TNFNOD2NOD1RAB9ANPC1
SCHEMBL11945311 0.81 MAPT (0.34) MAPTALDH1A1TDP1LMNAPOLB
SCHEMBL11945270 0.80 POLB (0.36) TNFNOD1RAB9AMAPTALDH1A1

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 TNF 3229/4885NOD2 427/4885NOD1 176/4885

“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.

Send feedback