SCHEMBL10258331

SCHEMBL10258331

COC(=O)c1nn(-c2ccc(OCc3ccccc3)cc2F)cc(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43
FFAR1 O14842 4/20 0.40
PPARD Q03181 1/20 0.40
MET P08581 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
KDR P35968 1/20 0.39
ALKBH1 Q13686 1/20 0.39
ATM Q13315 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 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
SCHEMBL10258841 0.90 MRGPRX4 (0.44) MRGPRX4FFAR1PPARDMETMEN1
SCHEMBL519275 0.90 KMT2A (0.43) FFAR1PPARDMEN1KMT2APOLB
SCHEMBL10259026 0.87 MRGPRX4 (0.40) MRGPRX4FFAR1PPARDMETMEN1
SCHEMBL518822 0.81 MAOB (0.42) MRGPRX4FFAR1PPARDKMT2A
SCHEMBL10258872 0.80 MET (0.47) METKMT2AMAPTSMN1; SMN2POLB
SCHEMBL7784469 0.79 KMT2A (0.40) MRGPRX4FFAR1PPARDMEN1KMT2A
SCHEMBL8369696 0.78 PDE10A (0.42) ALKBH1CTSVCTSL
SCHEMBL18793189 0.76 CYP1A2 (0.37) METMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL10259046 0.72 PFKFB3 (0.37) METMAPTSMN1; SMN2
SCHEMBL176858 0.72 MAOB (0.59) MRGPRX4SMN1; SMN2CTSVCTSLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
US-8778944-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8513251-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-20 US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 US disclosed
US-20120277431-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277430-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 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 (6 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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MRGPRX4 1809/4885FFAR1 2728/4885PPARD 749/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MRGPRX4 1809/4885FFAR1 2728/4885PPARD 749/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MRGPRX4 1631/4885FFAR1 3092/4885PPARD 1077/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MRGPRX4 1577/4885FFAR1 3030/4885PPARD 1145/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MRGPRX4 1809/4885FFAR1 2728/4885PPARD 749/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MRGPRX4 1809/4885FFAR1 2728/4885PPARD 749/4885

“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.