SCHEMBL11943261

SCHEMBL11943261

COc1cc(OC)c(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCN(Cc4ccccc4)CC3)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 1/20 0.47
▸ RBP4 P02753 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SIGMAR1 Q99720 4/20 0.43
▸ DNMT3A Q9Y6K1 2/20 0.42

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
SCHEMBL13304384 0.91 DCTPP1 (0.46) DCTPP1RBP4POLBALDH1A1SMN1; SMN2
SCHEMBL11943270 0.84 MAPT (0.48) DCTPP1POLBTSHRSMN1; SMN2MAPK1
SCHEMBL11943154 0.84 GLA (0.49) DCTPP1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL13329125 0.82 FAAH (0.48) DCTPP1POLBTSHRSMN1; SMN2MAPK1
SCHEMBL11943268 0.81 DCTPP1 (0.42) DCTPP1ALDH1A1SMN1; SMN2
SCHEMBL11943275 0.81 FAAH (0.52) ALDH1A1SIGMAR1
SCHEMBL11943160 0.81 FAAH (0.56) DCTPP1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL11943242 0.80 DCTPP1 (0.53) DCTPP1TSHRALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL11943260 0.79 KMT2A (0.50) DCTPP1RBP4TSHRALDH1A1SMN1; SMN2
SCHEMBL11943310 0.78 ALDH1A1 (0.48) DCTPP1ALDH1A1GAAMAPK1DRD4

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 6 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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 (2 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 DCTPP1 625/4885RBP4 4125/4885POLB 1088/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DCTPP1 209/4885RBP4 4580/4885POLB 1016/4885

“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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