SCHEMBL11943465

SCHEMBL11943465

CN1CCCC(COc2c(N3CCN(CCC(C)(C)C)CC3)cnn(-c3ccccc3)c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DCTPP1 Q9H773 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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 0.86 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL17058530 0.81 MAPT (0.49) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943354 0.80 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943353 0.79 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943469 0.79 DCTPP1 (0.38) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL17058199 0.75 MAPT (0.45) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943909 0.74 ALDH1A1 (0.55) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943905 0.74 ALDH1A1 (0.55) SMN1; SMN2LMNAPOLBKMT2ADCTPP1
SCHEMBL11943436 0.73 SIGMAR1 (0.43) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943323 0.73 ALDH1A1 (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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