SCHEMBL11943166

SCHEMBL11943166

O=C(Nc1c(F)cccc1F)N1CCN(c2cnn(-c3ccccc3)c(=O)c2N2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
POLB P06746 4/20 0.45
DCTPP1 Q9H773 2/20 0.43
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40

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
SCHEMBL11943266 0.89 NPC1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL11943159 0.85 MAPT (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13304476 0.77 SMN1; SMN2 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL13304485 0.75 NPC1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL13329216 0.74 DCTPP1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11943168 0.74 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11943215 0.73 KMT2A (0.53) NPC1RAB9AALDH1A1SMN1; SMN2DCTPP1
SCHEMBL11943217 0.73 DCTPP1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11943221 0.73 GFER (0.60) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13942548 0.73 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; 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 NPC1 2179/4885RAB9A 4688/4885ALDH1A1 2437/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NPC1 2218/4885RAB9A 4434/4885ALDH1A1 2003/4885

“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.