SCHEMBL4660995

SCHEMBL4660995

CCCCCCCCOc1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
MAPT P10636 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MCHR1 Q99705 2/20 0.46
TLR8 Q9NR97 2/20 0.46
LTA4H P09960 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL5930195 1.00 LMNA (0.54) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL9598552 0.98 CYP1A2 (0.53) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL4188080 0.92 CYP1A2 (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL22005008 0.90 NPC1 (0.47) LMNAMEN1NR1I2CHRM2CYP3A4
Acetonitrile SCHEMBL28873532 0.90 CYP1A2 (0.46) LMNAMEN1NR1I2CHRM2CYP3A4
Methyl Alcohol SCHEMBL27883438 0.89 CYP1A2 (0.56) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL22005040 0.88 KDM4E (0.44) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8384530 0.86 MEN1 (0.49) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL2038149 0.86 MEN1 (0.49) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL8382149 0.86 MEN1 (0.49) LMNAMEN1NR1I2CHRM2CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 EP disclosed
US-8847415-B1 Liquid compression molding encapsulants Henkel IP & Holding GmbH (DE) 2014-09-30 US disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
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
CN-102349025-A Negative-working imageable elements with overcoat EASTMAN KODAK CO 2012-02-08 CN 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
EP-1981837-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Incorporated (US) 2008-10-22 EP disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 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 (1 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 LMNA 929/4885MEN1 1830/4885NR1I2 2793/4885

“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.