SCHEMBL4337180

SCHEMBL4337180

CC(C(=O)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.52
MLYCD O95822 2/20 0.46
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
FAAH O00519 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
NCOR2 Q9Y618 2/20 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
SCHEMBL4335405 0.91 MAPK14 (0.48) MAPK14MLYCDLMNASMN1; SMN2MAPT
SCHEMBL4342451 0.91 MAPK14 (0.47) MAPK14MLYCDLMNASMN1; SMN2MAPT
SCHEMBL4335362 0.90 MAPK14 (0.51) MAPK14MLYCDLMNASMN1; SMN2MAPT
SCHEMBL4348725 0.88 MAPK14 (0.50) MAPK14MLYCDLMNASMN1; SMN2MAPT
SCHEMBL4337504 0.88 MAPK14 (0.58) MAPK14MLYCD
SCHEMBL4333456 0.86 MLYCD (0.47) MAPK14MLYCDMEN1KMT2A
SCHEMBL4343873 0.82 MLYCD (0.46) MAPK14MLYCDMAPTMEN1KMT2A
SCHEMBL4337093 0.82 MAPK14 (0.50) MAPK14MLYCD
SCHEMBL4333020 0.81 MAPK14 (0.76) MAPK14NCOR2
SCHEMBL4330123 0.81 MLYCD (0.49) MAPK14MLYCDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036905-B1 PYRIDYLISOXAZOLE DERIVATIVE ASKA PHARM CO LTD (JP) 2012-12-12 EP disclosed
US-8207203-B2 Pyridylisoxazole derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 EP 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-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 MAPK14 43/4885MLYCD 4475/4885LMNA 4792/4885

“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.