SCHEMBL11943354

SCHEMBL11943354

CN(C)CCOc1c(N2CCN(CCC(C)(C)C)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DCTPP1 Q9H773 4/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11943398 0.85 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943353 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943914 0.81 ALDH1A1 (0.57) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943465 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11945038 0.77 ALDH1A1 (0.56) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL17058086 0.76 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL13304481 0.75 SMN1; SMN2 (0.61) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL17057931 0.75 SMN1; SMN2 (0.45) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943464 0.74 MAPT (0.38) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943539 0.73 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBKMT2ADCTPP1

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 SMN1; SMN2 3911/4885LMNA 929/4885POLB 1088/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SMN1; SMN2 3332/4885LMNA 1760/4885POLB 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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