SCHEMBL11943398

SCHEMBL11943398

CC(C)(C)CCN1CCN(c2cnn(-c3ccccc3)c(=O)c2OCCC2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ DCTPP1 Q9H773 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ DRD3 P35462 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
SCHEMBL11943436 0.87 SIGMAR1 (0.43) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943323 0.86 ALDH1A1 (0.42) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL14081532 0.86 LMNA (0.42) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943465 0.86 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943354 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943367 0.84 NPC1 (0.40) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943366 0.84 SMO (0.47) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943458 0.83 SLC6A4 (0.42) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943444 0.83 NPBWR1 (0.43) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943369 0.82 ALDH1A1 (0.41) LMNAKMT2ANPC1RAB9AMAPT

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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