SCHEMBL11943138

SCHEMBL11943138

O=C(C1c2ccccc2-c2ccccc21)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCCOc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ DCTPP1 Q9H773 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ LMNA P02545 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
SCHEMBL11943139 0.82 KDM4E (0.46) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL11943158 0.80 EPHX2 (0.46) ALDH1A1DCTPP1RXFP1
SCHEMBL11943193 0.76 MAPT (0.52) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL11943111 0.75 ALDH1A1 (0.48) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL11943151 0.74 ALDH1A1 (0.51) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL11943588 0.73 ALDH1A1 (0.49) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL11943132 0.72 MAPT (0.46) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL11943248 0.72 ALDH1A1 (0.46) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL11943197 0.72 ALDH1A1 (0.49) ALDH1A1DCTPP1SMN1; SMN2KMT2AMAPT
SCHEMBL11943590 0.71 ALDH1A1 (0.47) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA

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 7 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
WO-2008115385-A2 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO 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 ALDH1A1 2437/4885DCTPP1 625/4885RXFP1 3786/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885DCTPP1 209/4885RXFP1 4060/4885

“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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