SCHEMBL11943820

SCHEMBL11943820

O=c1c(OC2CCCC2)c(N2CCN(CCc3ccccc3)CC2)cnn1-c1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ADRA1D P25100 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ ADRA1B P35368 3/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP4 P49662 1/20 0.37

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
SCHEMBL17057983 0.90 MAPT (0.46) HTR1ADRD2ALDH1A1LMNAPOLB
SCHEMBL11945166 0.84 MAPT (0.45) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL17058188 0.84 NPC1 (0.39) ALDH1A1LMNAPOLBMAPTHSD17B10
SCHEMBL17058328 0.84 NPC1 (0.35) ALDH1A1LMNAPOLBMAPT
SCHEMBL11943439 0.84 MAPT (0.45) HTR1ADRD2ALDH1A1LMNAPOLB
SCHEMBL14899749 0.84 SMN1; SMN2 (0.45) ALDH1A1LMNAPOLBMAPK1HSD17B10
SCHEMBL17058160 0.83 MAPT (0.46) ALDH1A1LMNAPOLBMAPTHSD17B10
SCHEMBL11945123 0.83 MAPT (0.44) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL17057964 0.83 NPC1 (0.36) ALDH1A1LMNAPOLBMAPTHSD17B10
SCHEMBL11943855 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHSD17B10

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 HTR1A 4010/4885DRD2 4876/4885ALDH1A1 2437/4885

“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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