SCHEMBL11943403

SCHEMBL11943403

CCOc1ccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ DCTPP1 Q9H773 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ KDM4E B2RXH2 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46

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
SCHEMBL14080954 0.90 ALDH1A1 (0.51) ALDH1A1DCTPP1NPC1TP53SMN1; SMN2
SCHEMBL11943360 0.86 ALDH1A1 (0.53) ALDH1A1DCTPP1RXFP1KDM4ESMN1; SMN2
SCHEMBL11943427 0.86 ALDH1A1 (0.52) ALDH1A1DCTPP1RXFP1KDM4ENPC1
SCHEMBL11943924 0.85 ALDH1A1 (0.54) ALDH1A1DCTPP1RXFP1MEN1KMT2A
SCHEMBL14082776 0.85 MAPK14 (0.44) ALDH1A1DCTPP1RXFP1NPC1TP53
SCHEMBL11943445 0.85 ALDH1A1 (0.49) ALDH1A1DCTPP1RXFP1KDM4ESMN1; SMN2
SCHEMBL11943440 0.84 KMT2A (0.44) ALDH1A1DCTPP1RXFP1KDM4ENPC1
SCHEMBL11943401 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL11943338 0.84 ALDH1A1 (0.51) ALDH1A1DCTPP1RXFP1KDM4ESMN1; SMN2
SCHEMBL11943422 0.84 MAPK14 (0.45) ALDH1A1DCTPP1RXFP1KDM4ENPC1

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 ALDH1A1 2437/4885DCTPP1 625/4885RXFP1 3786/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885DCTPP1 209/4885RXFP1 4060/4885

“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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