SCHEMBL11945305

SCHEMBL11945305

CC(C)COC(=O)C1CC[C@@H](Oc2c(N3CCN(S(=O)(=O)Cc4cccc([N+](=O)[O-])c4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ 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
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MET P08581 1/20 0.31
▸ FKBP1A P62942 1/20 0.31

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
SCHEMBL11944976 0.84 ALDH1A1 (0.38) NPSR1ALDH1A1MAPTLMNAPOLB
SCHEMBL11945378 0.84 ALDH1A1 (0.38) NPSR1ALDH1A1MAPTLMNAPOLB
SCHEMBL11945280 0.82 GPR119 (0.37) ALDH1A1MAPTLMNASMN1; SMN2CYP2C19
SCHEMBL11944618 0.80 ALDH1A1 (0.37) TDP1NPSR1ALDH1A1MAPTLMNA
SCHEMBL11945308 0.79 MAPT (0.34) NPSR1ALDH1A1MAPTLMNAPOLB
SCHEMBL11945324 0.79 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL11944472 0.79 ALDH1A1 (0.37) TDP1NPSR1ALDH1A1MAPTLMNA
SCHEMBL11945306 0.78 GPR119 (0.36) NPSR1MAPTPOLBCYP3A4CYP2C19
SCHEMBL11945311 0.78 MAPT (0.34) TDP1NPSR1ALDH1A1MAPTRIPK1
SCHEMBL11944978 0.78 ALDH1A1 (0.39) NPSR1ALDH1A1MAPTLMNAPOLB

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 2 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-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 TDP1 901/4885NPSR1 4251/4885PKM 241/4885

“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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