SCHEMBL11943436

SCHEMBL11943436

O=c1c(OCCC2CCCCC2)c(N2CCN(CCCc3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.43
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11943323 0.89 ALDH1A1 (0.42) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL14081532 0.89 LMNA (0.42) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL11943398 0.87 SMN1; SMN2 (0.42) LMNAPOLBALDH1A1MAPTNPC1
SCHEMBL17058530 0.85 MAPT (0.49) SIGMAR1LMNAPOLBALDH1A1MAPT
SCHEMBL11943444 0.84 NPBWR1 (0.43) LMNAPOLBALDH1A1MAPTNPC1
SCHEMBL11943369 0.83 ALDH1A1 (0.41) LMNAALDH1A1MAPTHSD17B10NPC1
SCHEMBL11943355 0.83 BCL2L1 (0.44) LMNAMAPTNPC1RAB9AKMT2A
SCHEMBL11943356 0.83 NPC1 (0.40) LMNAPOLBALDH1A1MAPTNPC1
SCHEMBL11943447 0.83 NPC1 (0.40) LMNAPOLBALDH1A1MAPTMAPK1
SCHEMBL11943381 0.83 FAAH (0.43) SIGMAR1LMNAALDH1A1SLC6A3SMN1; SMN2

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 SIGMAR1 4544/4885LMNA 929/4885POLB 1088/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SIGMAR1 4219/4885LMNA 1760/4885POLB 1016/4885

“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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