SCHEMBL11943200

SCHEMBL11943200

O=c1c(NCCN2CCOCC2)c(N2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 10/20 0.47
▸ MTOR P42345 10/20 0.47
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ DCTPP1 Q9H773 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL11943208 0.85 PIK3CA (0.52) PIK3CAMTORMAPTALDH1A1DCTPP1
SCHEMBL11943204 0.84 POLB (0.49) PIK3CAMTORMAPTALDH1A1DCTPP1
SCHEMBL11943301 0.81 CA12 (0.52) PIK3CAMTORMAPTALDH1A1DCTPP1
SCHEMBL11943307 0.81 MAPT (0.47) PIK3CAMTORMAPTALDH1A1DCTPP1
SCHEMBL11943177 0.80 NPC1 (0.46) PIK3CAMTORMAPTALDH1A1DCTPP1
SCHEMBL11954265 0.77 NPC1 (0.49) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11946581 0.75 NPC1 (0.48) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943113 0.75 FYN (0.44) MAPTALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943141 0.74 NPC1 (0.47) ALDH1A1DCTPP1NPC1RAB9AHPGD
SCHEMBL11943211 0.74 ALDH1A1 (0.45) PIK3CAMTORMAPTALDH1A1DCTPP1

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 PIK3CA 665/4885MTOR 276/4885MAPT 2295/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 PIK3CA 727/4885MTOR 407/4885MAPT 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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