SCHEMBL11943302

SCHEMBL11943302

O=c1c(NC2CCCCC2)c(N2CCN(S(=O)(=O)CCc3cccc4ccccc34)CC2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ TAOK1 Q7L7X3 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ DCTPP1 Q9H773 2/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11943295 0.82 MAPT (0.53) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11944262 0.78 MAPT (0.44) MAPTTAOK1ALDH1A1DCTPP1KDM4E
SCHEMBL11943303 0.76 ALDH1A1 (0.55) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943305 0.72 NPC1 (0.44) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943315 0.71 MEN1 (0.57) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL11943123 0.70 DCTPP1 (0.42) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL13305276 0.69 MAPT (0.48) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11945244 0.69 CYP3A4 (0.47) MAPTALDH1A1DCTPP1KDM4ESMN1; SMN2
SCHEMBL11943174 0.68 MAPT (0.49) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11943293 0.68 MAPT (0.56) MAPTALDH1A1DCTPP1NPC1RAB9A

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 MAPT 2295/4885TAOK1 1375/4885ALDH1A1 2437/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 MAPT 3651/4885TAOK1 2284/4885ALDH1A1 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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