SCHEMBL11943473

SCHEMBL11943473

CCOc1ccccc1NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ DCTPP1 Q9H773 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 5/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ P2RY12 Q9H244 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TP53 P04637 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
SCHEMBL11943389 0.89 KMT2A (0.49) ALDH1A1DCTPP1RXFP1KMT2AMAPT
SCHEMBL11943474 0.86 FAAH (0.49) ALDH1A1DCTPP1RXFP1KMT2AMEN1
SCHEMBL11943072 0.85 ALDH1A1 (0.47) ALDH1A1DCTPP1RXFP1KMT2AMEN1
SCHEMBL13329677 0.84 LMNA (0.50) ALDH1A1DCTPP1RXFP1MAPTHTT
SCHEMBL11943476 0.83 RBP4 (0.47) ALDH1A1DCTPP1RXFP1KMT2AMEN1
SCHEMBL11943383 0.82 ALDH1A1 (0.49) ALDH1A1DCTPP1RXFP1KMT2AMEN1
SCHEMBL11943475 0.82 ALDH1A1 (0.44) ALDH1A1DCTPP1RXFP1MAPTP2RY12
SCHEMBL11943385 0.81 NPC1 (0.46) ALDH1A1DCTPP1RXFP1KMT2AMEN1
SCHEMBL11943394 0.80 ALDH1A1 (0.51) ALDH1A1DCTPP1RXFP1KMT2AMEN1
SCHEMBL11943035 0.80 ALDH1A1 (0.49) ALDH1A1DCTPP1RXFP1KMT2AMEN1

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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