SCHEMBL11943117

SCHEMBL11943117

O=C(c1cccc(SC(F)(F)F)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCc2cccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.47
▸ MAPT P10636 5/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DCTPP1 Q9H773 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ VNN1 O95497 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KHK P50053 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL13305178 0.88 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL11943111 0.83 ALDH1A1 (0.48) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL13329325 0.79 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL11943222 0.78 DCTPP1 (0.51) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL11943226 0.76 DCTPP1 (0.44) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL11943480 0.76 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL11953028 0.76 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL11943132 0.74 MAPT (0.46) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL11943112 0.74 DCTPP1 (0.43) ALDH1A1MAPTNPSR1DCTPP1RXFP1
SCHEMBL11943257 0.74 MAPT (0.48) ALDH1A1MAPTDCTPP1SMN1; SMN2KDM4E

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 ALDH1A1 2437/4885MAPT 2295/4885NPSR1 4251/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885MAPT 3651/4885NPSR1 3376/4885

“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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