SCHEMBL11943858

SCHEMBL11943858

O=C(C(O)Cc1ccccc1)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ DCTPP1 Q9H773 3/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ RET P07949 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ AKT3 Q9Y243 1/20 0.33

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
SCHEMBL11943856 0.88 ROCK2 (0.42) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1
SCHEMBL17058160 0.86 MAPT (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL11943855 0.85 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL11943859 0.84 ROCK2 (0.39) ALDH1A1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL11943857 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL17058437 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EPKMDCTPP1
SCHEMBL17058188 0.82 NPC1 (0.39) ALDH1A1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL11943820 0.81 HTR1A (0.39) ALDH1A1MAPT
SCHEMBL17058328 0.80 NPC1 (0.35) ALDH1A1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL11945166 0.80 MAPT (0.45) ALDH1A1SMN1; SMN2DCTPP1CYP3A4TSHR

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 2437/4885MEN1 1830/4885KMT2A 3312/4885

“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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