SCHEMBL11943295

SCHEMBL11943295

O=c1c(NC2CCCCC2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.47
▸ DCTPP1 Q9H773 1/20 0.47
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL13305276 0.86 MAPT (0.48) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11945803 0.85 MAPT (0.55) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943293 0.83 MAPT (0.56) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943940 0.83 MAPT (0.53) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943303 0.82 ALDH1A1 (0.55) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943302 0.82 MAPT (0.47) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11945231 0.82 MAPT (0.54) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943193 0.80 MAPT (0.52) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL13328928 0.80 MAPT (0.52) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943192 0.79 MAPT (0.54) 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 2295/4885ALDH1A1 2437/4885DCTPP1 625/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 MAPT 3651/4885ALDH1A1 2003/4885DCTPP1 209/4885

“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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