SCHEMBL11943444

SCHEMBL11943444

O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3ccc(O)cc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ MIF P14174 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DCTPP1 Q9H773 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PDE9A O76083 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ POLB P06746 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
SCHEMBL11943356 0.92 NPC1 (0.40) NPBWR1MCHR1MIFMAPTNPC1
SCHEMBL11943355 0.91 BCL2L1 (0.44) MIFMAPTNPC1RAB9ALMNA
SCHEMBL11943445 0.89 ALDH1A1 (0.49) NPBWR1MCHR1MAPTLMNADRD4
SCHEMBL11946604 0.89 CHRM4 (0.39) MIFMAPTNPC1RAB9ALMNA
SCHEMBL11943418 0.88 KDM4E (0.46) LMNADRD4DCTPP1ALDH1A1TDP1
SCHEMBL11943447 0.87 NPC1 (0.40) MIFMAPTNPC1RAB9ALMNA
SCHEMBL11943369 0.86 ALDH1A1 (0.41) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL11943461 0.86 MAPT (0.38) MCHR1MIFMAPTNPC1RAB9A
SCHEMBL11943381 0.85 FAAH (0.43) LMNASMN1; SMN2ALDH1A1GAATDP1
SCHEMBL11943364 0.85 MAPK14 (0.41) MIFMAPTNPC1RAB9ALMNA

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 NPBWR1 4643/4885MCHR1 4513/4885MIF 1151/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NPBWR1 3390/4885MCHR1 4374/4885MIF 1530/4885

“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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