SCHEMBL11943471

SCHEMBL11943471

CC(C)Oc1c(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ DCTPP1 Q9H773 4/20 0.48
▸ GAA P10253 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MCHR1 Q99705 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL14080977 0.86 MAPT (0.52) ALDH1A1KDM4EMAPTDCTPP1GAA
SCHEMBL11943326 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTDCTPP1GAA
SCHEMBL11943343 0.86 MAPT (0.46) ALDH1A1MAPTDCTPP1GAARXFP1
SCHEMBL11943338 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTDCTPP1GAA
SCHEMBL11943399 0.83 ALDH1A1 (0.44) ALDH1A1
SCHEMBL11943380 0.83 LMNA (0.52) ALDH1A1MAPTDCTPP1SMN1; SMN2LMNA
SCHEMBL11943334 0.83 DRD4 (0.52) ALDH1A1KDM4EMAPTDCTPP1SMN1; SMN2
SCHEMBL11943431 0.82 MAPT (0.41) ALDH1A1MAPTDCTPP1SMN1; SMN2LMNA
SCHEMBL11943448 0.80 DRD2 (0.44) ALDH1A1MAPTDCTPP1RXFP1SMN1; SMN2
SCHEMBL11943362 0.80 SMO (0.52) ALDH1A1KDM4EMAPTDCTPP1GAA

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 ALDH1A1 2437/4885KDM4E 1548/4885MAPT 2295/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885KDM4E 1706/4885MAPT 3651/4885

“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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