SCHEMBL11943847

SCHEMBL11943847

CCOCCOc1c(N2CCN(C(=O)CC)CC2)cnn(-c2cccc(C)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ DCTPP1 Q9H773 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPBWR1 P48145 2/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ HPGDS O60760 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL11943836 0.88 ALDH1A1 (0.47) ALDH1A1TSHRRXFP1MEN1KMT2A
SCHEMBL11945118 0.83 POLB (0.44) ALDH1A1DCTPP1NPSR1SMN1; SMN2NPBWR1
SCHEMBL11943979 0.83 MAPT (0.42) ALDH1A1DCTPP1RXFP1NPSR1NPBWR1
SCHEMBL11943815 0.83 NPC1 (0.46) ALDH1A1DCTPP1RXFP1NPSR1SMN1; SMN2
SCHEMBL11945103 0.81 MAPT (0.41) ALDH1A1DCTPP1NPSR1SMN1; SMN2NPBWR1
SCHEMBL11943838 0.81 ALDH1A1 (0.58) ALDH1A1TSHRDCTPP1RXFP1MEN1
SCHEMBL11945108 0.81 MAPT (0.49) ALDH1A1TSHRDCTPP1RXFP1KMT2A
SCHEMBL11943840 0.80 KMT2A (0.49) ALDH1A1TSHRDCTPP1RXFP1MEN1
SCHEMBL11943863 0.80 NPBWR1 (0.38) ALDH1A1TSHRDCTPP1RXFP1NPSR1
SCHEMBL11943795 0.79 MEN1 (0.41) ALDH1A1DCTPP1RXFP1MEN1KMT2A

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 4 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-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 (1 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 2437/4885TSHR 4729/4885DCTPP1 625/4885

“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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