SCHEMBL11943332

SCHEMBL11943332

Cc1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCCCC3)CC2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ADRA1D P25100 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ ADRA1B P35368 3/20 0.39
▸ GNRHR P30968 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SMO Q99835 3/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ TRPC5 Q9UL62 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ DCTPP1 Q9H773 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ MCHR1 Q99705 2/20 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
SCHEMBL11943352 0.84 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL14080963 0.84 NPC1 (0.43) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL14081533 0.83 ALDH1A1 (0.46) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943442 0.83 ALDH1A1 (0.42) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL14081493 0.81 NPBWR1 (0.44) SMN1; SMN2LMNAPOLBKMT2AADRA1D
SCHEMBL11943345 0.81 NPC1 (0.43) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943414 0.81 NPC1 (0.40) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17057983 0.80 MAPT (0.46) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943439 0.80 MAPT (0.45) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL13329743 0.80 NPC1 (0.42) SMN1; SMN2LMNAPOLBKMT2ANPC1

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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