SCHEMBL11943857

SCHEMBL11943857

O=C(C(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)CC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ DCTPP1 Q9H773 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL14081539 0.94 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1
SCHEMBL11943855 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1
SCHEMBL17058437 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1
SCHEMBL11943861 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1
SCHEMBL11943856 0.84 ROCK2 (0.42) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1
SCHEMBL17058160 0.84 MAPT (0.46) ALDH1A1SMN1; SMN2KDM4EPKMLMNA
SCHEMBL11943858 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1
SCHEMBL11943820 0.81 HTR1A (0.39) ALDH1A1LMNAPOLB
SCHEMBL14899749 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2NPBWR1MCHR1NPC1
SCHEMBL11943859 0.81 ROCK2 (0.39) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1

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 2437/4885SMN1; SMN2 3911/4885KDM4E 1548/4885

“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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