SCHEMBL10033766

SCHEMBL10033766

[C-]#[N+]c1ccc(-c2cnc(Nc3cc(Nc4nc5ccccc5o4)ccc3C)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
KDR P35968 6/20 0.43
FLT1 P17948 4/20 0.43
FLT4 P35916 4/20 0.43
IMPDH2 P12268 5/20 0.42
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ALOX5 P09917 1/20 0.39
VCP P55072 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 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
SCHEMBL544079 0.87 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2341841 0.85 KDR (0.50) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2342462 0.83 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL10033767 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2348479 0.76 FLT1 (0.46) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2346880 0.75 KIT (0.50) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2346767 0.75 IMPDH2 (0.44) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2346702 0.75 KIT (0.50) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2341934 0.75 IMPDH2 (0.44) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL544406 0.73 IMPDH2 (0.62) KDRFLT1FLT4IMPDH2VCP

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.