SCHEMBL3596705

SCHEMBL3596705

C=C(OCC)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CASP3 P42574 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTR7 P34969 1/20 0.40
PTBP1 P26599 1/20 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
SCHEMBL2630547 0.83 GAA (0.46) MAPTKMT2ALMNACYP1A2ALDH1A1
SCHEMBL13176964 0.81 ESR1 (0.59) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL16084073 0.79 LMNA (0.60) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL23998003 0.79 SMN1; SMN2 (0.50) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL14838816 0.79 ALDH1A1 (0.47) KMT2AMEN1LMNACYP1A2ALDH1A1
SCHEMBL3391109 0.78 MAPT (0.56) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL8271028 0.78 NR1I2 (0.53) MAPTALDH1A1SMN1; SMN2
SCHEMBL18400815 0.78 MAOA (0.40) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL9141441 0.77 MAPT (0.54) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL17794114 0.77 CES2 (0.52) MAPTKMT2AMEN1CASP3TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953456-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-05-22 EP disclosed
EP-2970174-B1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-03 EP disclosed
US-8293916-B2 Diazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100048569-A1 DIAZOLE DERIVATIVES BUETTELMANN BERND 2010-02-25 US disclosed
EP-1756086-B1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
EP-1756086-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 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 (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-20100048569-A1 DIAZOLE DERIVATIVES GRM1, GRM2, GRIN2B MAPT 1397/4885KMT2A 1420/4885MEN1 4426/4885
US-20060030559-A1 Diazole derivatives GRM1, GRM2, GRIN2B MAPT 1397/4885KMT2A 1420/4885MEN1 4426/4885

“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.