SCHEMBL11943432

SCHEMBL11943432

O=c1c(OC2Cc3ccccc3C2)c(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.48
▸ HSD17B10 Q99714 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DRD2 P14416 7/20 0.43
▸ DRD3 P35462 5/20 0.43
▸ DRD4 P21917 4/20 0.43
▸ HTR1A P08908 3/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ ADRA2C P18825 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL11943457 0.91 CYP2D6 (0.53) CYP2D6HSD17B10KDM4EKMT2ASMN1; SMN2
SCHEMBL17058482 0.86 HSD17B10 (0.50) CYP2D6HSD17B10KDM4EKMT2ASMN1; SMN2
SCHEMBL11943324 0.86 CYP2D6 (0.53) CYP2D6HSD17B10KDM4EKMT2ASMN1; SMN2
SCHEMBL11943321 0.84 CYP2D6 (0.48) CYP2D6HSD17B10KDM4EKMT2ASMN1; SMN2
SCHEMBL11943368 0.84 ALDH1A1 (0.43) HSD17B10KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL11943397 0.84 BCL2L1 (0.48) KMT2ASMN1; SMN2ALDH1A1DRD2DRD3
SCHEMBL11943344 0.84 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2ALDH1A1DRD2DRD3
SCHEMBL11943470 0.82 DRD4 (0.43) HSD17B10KDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11943340 0.82 ALDH1A1 (0.42) KDM4EKMT2ASMN1; SMN2ALDH1A1DRD2
SCHEMBL11943429 0.82 SMO (0.48) KDM4EKMT2AMEN1ALDH1A1DRD4

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 6 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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 (2 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 CYP2D6 403/4885HSD17B10 1101/4885KDM4E 1548/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 CYP2D6 1010/4885HSD17B10 2520/4885KDM4E 1706/4885

“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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