SCHEMBL11943469

SCHEMBL11943469

COc1cccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCC3CCCN(C)C3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 1/20 0.38
▸ SMO Q99835 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ DRD4 P21917 4/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ KIT P10721 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ EDNRA P25101 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
SCHEMBL11943465 0.79 SMN1; SMN2 (0.43) DCTPP1LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL17058530 0.72 MAPT (0.49) ADRA1ALMNAPOLBKMT2ASMN1; SMN2
SCHEMBL17058224 0.72 DCTPP1 (0.40) DCTPP1ADRA1ALMNAPOLBKMT2A
SCHEMBL11943364 0.71 MAPK14 (0.41) DCTPP1SMODRD4LMNAPOLB
SCHEMBL11943366 0.70 SMO (0.47) DCTPP1SMODRD4LMNAPOLB
SCHEMBL14080864 0.69 DRD2 (0.40) DCTPP1SMOKDM4EDRD4ADRA1A
SCHEMBL11943418 0.69 KDM4E (0.46) DCTPP1KDM4EDRD4LMNAALDH1A1
SCHEMBL11943342 0.69 MAPK14 (0.44) DCTPP1SMODRD4ADRA1ALMNA
SCHEMBL11945701 0.68 POLB (0.44) DCTPP1KDM4ELMNAPOLBKMT2A
SCHEMBL11943909 0.68 ALDH1A1 (0.55) DCTPP1KDM4ELMNAPOLBKMT2A

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 3 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-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

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 625/4885SMO 4431/4885KDM4E 1548/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DCTPP1 209/4885SMO 3100/4885KDM4E 1706/4885

“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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