SCHEMBL11943401

SCHEMBL11943401

Cc1cccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCc3ccccc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ LMNA P02545 5/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ DRD4 P21917 3/20 0.43
▸ ALOX12 P18054 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL14082776 0.93 MAPK14 (0.44) ALDH1A1MAPTMAPK14LMNAKMT2A
SCHEMBL11943438 0.93 KDM4E (0.46) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL11943329 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL14080954 0.90 ALDH1A1 (0.51) ALDH1A1MAPTMAPK14LMNAKMT2A
SCHEMBL11943396 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL14081538 0.90 MAPK14 (0.41) ALDH1A1MAPTMAPK14LMNAKMT2A
SCHEMBL11943428 0.88 SMO (0.44) ALDH1A1MAPTMAPK14LMNAKMT2A
SCHEMBL13329089 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL11943399 0.88 ALDH1A1 (0.44) ALDH1A1DRD2HTR1ADRD3
SCHEMBL14082662 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTLMNAKMT2A

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 7 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
WO-2008115385-A2 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO 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 ALDH1A1 2437/4885KDM4E 1548/4885MAPT 2295/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885KDM4E 1706/4885MAPT 3651/4885

“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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