SCHEMBL11945727

SCHEMBL11945727

CC1(COc2c(N3CCN(S(=O)(=O)Cc4cc5c(cc4[N+](=O)[O-])NCCO5)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL11945730 0.90 MAPT (0.32) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11945732 0.87 CXCR3 (0.34) CXCR3LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11945729 0.86 PIK3CA (0.36) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11946282 0.86 MMP13 (0.35) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11945636 0.81 MAPT (0.40) CXCR3LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11945734 0.81 MAPT (0.33) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944584 0.80 POLB (0.38) CXCR3LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11945669 0.80 MAPT (0.39) LMNAHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL4132021 0.80 MAPT (0.36) CXCR3LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11945638 0.80 CYP2C19 (0.40) CXCR3LMNAHPGDSMN1; SMN2MAPT

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 CXCR3 4241/4885LMNA 929/4885HPGD 690/4885

“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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