SCHEMBL11943790

SCHEMBL11943790

CC(C)NC(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2Cc3ccccc3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ HPGDS O60760 6/20 0.39
▸ TP53 P04637 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ PRKG1 Q13976 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ SLC2A3 P11169 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CACNA1H O95180 2/20 0.38

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
SCHEMBL11943792 0.88 HPGDS (0.47) ALDH1A1KDM4EPKMSMN1; SMN2HPGDS
SCHEMBL11943797 0.87 SMN1; SMN2 (0.48) ALDH1A1KDM4EPKMSMN1; SMN2HPGDS
SCHEMBL11943850 0.85 HPGDS (0.52) ALDH1A1KDM4EPKMSMN1; SMN2HPGDS
SCHEMBL17058371 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EPKMSMN1; SMN2CYP3A4
SCHEMBL11943985 0.82 POLB (0.45) ALDH1A1KDM4EPKMSMN1; SMN2CYP3A4
SCHEMBL11943795 0.82 MEN1 (0.41) ALDH1A1KDM4EPKMSMN1; SMN2CYP3A4
SCHEMBL11945065 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EPKMSMN1; SMN2CYP3A4
SCHEMBL11943821 0.79 SMN1; SMN2 (0.39) ALDH1A1KDM4EPKMSMN1; SMN2CYP3A4
SCHEMBL11943543 0.79 SMN1; SMN2 (0.48) ALDH1A1KDM4EPKMSMN1; SMN2TP53
SCHEMBL17058152 0.79 POLB (0.39) ALDH1A1KDM4EPKMSMN1; SMN2CYP3A4

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 2437/4885KDM4E 1548/4885PKM 241/4885

“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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