SCHEMBL10033767

SCHEMBL10033767

[C-]#[N+]c1ccc(-c2cnc(Nc3cc(Nc4nc5ccccc5s4)ccc3C)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
KDR P35968 3/20 0.39
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
IMPDH2 P12268 2/20 0.39
PDE10A Q9Y233 3/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL2349345 0.86 PDE10A (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10033766 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10033770 0.71 FLT1 (0.42) NPC1RAB9AKMT2ALMNAKDR
SCHEMBL12450052 0.70 PDE10A (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL544406 0.69 IMPDH2 (0.62) KDRFLT1FLT4IMPDH2
SCHEMBL544079 0.69 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10033776 0.69 ALOX5 (0.47) SMN1; SMN2MAPTKDRFLT1FLT4
SCHEMBL2341841 0.69 KDR (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10033772 0.68 DGAT1 (0.44) LMNAPOLBKDRFLT1FLT4
SCHEMBL10066202 0.66 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 3811/4885RAB9A 3284/4885SMN1; SMN2 3607/4885
US-20120108616-A1 SUBSTITUTED OXAZOLE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS KIT, FLT3, LTK NPC1 4327/4885RAB9A 3492/4885SMN1; SMN2 3683/4885

“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.