SCHEMBL11943474

SCHEMBL11943474

O=C(Nc1ccccc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.49
▸ GAA P10253 1/20 0.47
▸ ME2 P23368 1/20 0.47
▸ ME1 P48163 1/20 0.47
▸ ME3 Q16798 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ DCTPP1 Q9H773 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL11943394 0.91 ALDH1A1 (0.51) FAAHMAPTALDH1A1DCTPP1RXFP1
SCHEMBL11943385 0.91 NPC1 (0.46) FAAHMAPTALDH1A1DCTPP1RXFP1
SCHEMBL11943383 0.90 ALDH1A1 (0.49) FAAHMAPTALDH1A1DCTPP1RXFP1
SCHEMBL11943389 0.88 KMT2A (0.49) FAAHMAPTALDH1A1DCTPP1RXFP1
SCHEMBL11943382 0.88 MAPT (0.56) MAPTALDH1A1DCTPP1RXFP1KDM4E
SCHEMBL11943473 0.86 ALDH1A1 (0.49) GAAMAPTALDH1A1DCTPP1RXFP1
SCHEMBL13329677 0.85 LMNA (0.50) MAPTALDH1A1DCTPP1RXFP1KDM4E
SCHEMBL11943476 0.84 RBP4 (0.47) MAPTALDH1A1DCTPP1RXFP1KDM4E
SCHEMBL11943475 0.83 ALDH1A1 (0.44) MAPTALDH1A1DCTPP1RXFP1MAPK14
SCHEMBL11943384 0.81 DCTPP1 (0.55) MAPTALDH1A1DCTPP1RXFP1KDM4E

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 FAAH 4782/4885GAA 21/4885ME2 422/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 FAAH 4851/4885GAA 22/4885ME2 1925/4885

“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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