SCHEMBL11943457

SCHEMBL11943457

O=c1c(OC2CCN(Cc3ccccc3)CC2)c(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.53
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MCHR1 Q99705 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL11943432 0.91 CYP2D6 (0.48) CYP2D6TSHRALDH1A1KMT2AHSD17B10
SCHEMBL17058482 0.89 HSD17B10 (0.50) CYP2D6TSHRALDH1A1KMT2AMCHR1
SCHEMBL11943324 0.87 CYP2D6 (0.53) CYP2D6TSHRALDH1A1KMT2AHSD17B10
SCHEMBL11943441 0.85 ALDH1A1 (0.44) TSHRALDH1A1KMT2AMCHR1HSD17B10
SCHEMBL11943321 0.84 CYP2D6 (0.48) CYP2D6TSHRALDH1A1KMT2AHSD17B10
SCHEMBL11943423 0.83 CYP2D6 (0.48) CYP2D6ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL11943446 0.82 SIGMAR1 (0.46) TSHRALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL11943363 0.82 DRD4 (0.48) ALDH1A1KMT2ASMN1; SMN2KDM4EDRD2
SCHEMBL11943322 0.80 SMN1; SMN2 (0.49) CYP2D6TSHRALDH1A1KMT2AMCHR1
SCHEMBL11943467 0.80 LMNA (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1HRH3

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 403/4885TSHR 4729/4885ALDH1A1 2437/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 CYP2D6 1010/4885TSHR 4577/4885ALDH1A1 2003/4885

“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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