SCHEMBL10033772

SCHEMBL10033772

[C-]#[N+]c1ccc(-c2cnc(Nc3cc(C(=O)CCc4ccccc4)ccc3C)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
FAAH O00519 7/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
CES1 P23141 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL10033771 0.91 ALOX5 (0.45) DGAT1FAAHFLT1FLT4KDR
SCHEMBL10033773 0.91 KIT (0.45) DGAT1FAAHKDM4ELMNAPOLB
SCHEMBL2347458 0.87 KIT (0.46) DGAT1FAAHKDM4ELMNAPOLB
SCHEMBL2343081 0.86 FAAH (0.52) DGAT1FAAHFLT1FLT4KDR
SCHEMBL10033770 0.83 FLT1 (0.42) LMNAFLT1FLT4KDR
SCHEMBL2343055 0.78 ALOX5 (0.45) DGAT1FAAHFLT1FLT4KDR
SCHEMBL2344715 0.77 KIT (0.45) DGAT1FAAHFLT1FLT4KDR
SCHEMBL10033776 0.76 ALOX5 (0.47) DGAT1FLT1FLT4KDR
SCHEMBL544248 0.73 ROCK2 (0.52) LMNAHDAC8
SCHEMBL10033766 0.70 NPC1 (0.50) LMNAFLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658659-B2 Substituted oxazole derivatives and their use as tyrosine kinase inhibitors AB SCIENCE (FR) 2014-02-25 US disclosed
US-20120108616-A1 SUBSTITUTED OXAZOLE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AB SCIENCE 2012-05-03 US disclosed
US-20080242704-A1 Substituted Oxazole Derivatives and their Use as Tyrosine Kinase Inhibitors AB SCIENCE 2008-10-02 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-20080242704-A1 Substituted Oxazole Derivatives and their Use as Tyrosine Kinase Inhibitors KIT, TYRO3, LCK DGAT1 4774/4885FAAH 4292/4885KDM4E 914/4885
US-20120108616-A1 SUBSTITUTED OXAZOLE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS KIT, FLT3, LTK DGAT1 4723/4885FAAH 4543/4885KDM4E 1062/4885

“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.