SCHEMBL11943797

SCHEMBL11943797

O=C(NC1CCCCC1)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2Cc3ccccc3C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGDS O60760 4/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ POLB P06746 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
SCHEMBL11943792 0.99 HPGDS (0.47) SMN1; SMN2HPGDSRAB9AALDH1A1KDM4E
SCHEMBL11943543 0.92 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AALDH1A1KDM4EPKM
SCHEMBL11943790 0.87 ALDH1A1 (0.42) SMN1; SMN2HPGDSALDH1A1KDM4EPKM
SCHEMBL11943796 0.83 HPGDS (0.44) SMN1; SMN2HPGDSRAB9AALDH1A1KDM4E
SCHEMBL17058371 0.83 ALDH1A1 (0.42) SMN1; SMN2HPGDSRAB9AALDH1A1KDM4E
SCHEMBL11943850 0.82 HPGDS (0.52) SMN1; SMN2HPGDSALDH1A1KDM4EPKM
SCHEMBL11943791 0.82 HPGDS (0.45) SMN1; SMN2HPGDSRAB9AALDH1A1KDM4E
SCHEMBL11945096 0.81 POLB (0.45) SMN1; SMN2HPGDSRAB9AALDH1A1KDM4E
SCHEMBL11945092 0.79 POLB (0.46) SMN1; SMN2HPGDSRAB9AALDH1A1KDM4E
SCHEMBL11945065 0.78 ALDH1A1 (0.53) SMN1; SMN2HPGDSRAB9AALDH1A1KDM4E

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 SMN1; SMN2 3911/4885HPGDS 558/4885RAB9A 4688/4885

“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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