SCHEMBL11945729

SCHEMBL11945729

CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc5c(c4)OCCN5)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.36
▸ MMP13 P45452 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ 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

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
SCHEMBL11946282 0.94 MMP13 (0.35) PIK3CAMMP13MAPTPOLBCYP3A4
SCHEMBL11945730 0.88 MAPT (0.32) MMP13MAPTPOLBCYP3A4CYP2C19
SCHEMBL11946285 0.87 MAPT (0.32) MMP13MAPTPOLBCYP3A4CYP2C19
SCHEMBL11945727 0.86 CXCR3 (0.32) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11946281 0.85 HTR1A (0.40) POLB
SCHEMBL11945734 0.85 MAPT (0.33) MMP13MAPTPOLBCYP3A4CYP2C19
SCHEMBL11945640 0.85 MAPT (0.40) MMP13MAPTPOLBCYP3A4CYP2C19
SCHEMBL11945350 0.85 MAPT (0.39) MMP13MAPTPOLBCYP3A4CYP2C19
SCHEMBL11945630 0.84 MAPT (0.37) MMP13MAPTPOLBCYP3A4CYP2C19
SCHEMBL11946396 0.84 MAPT (0.41) PIK3CAMMP13MAPTPOLBCYP3A4

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 PIK3CA 665/4885MMP13 3237/4885MAPT 2295/4885

“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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