SCHEMBL10033776

SCHEMBL10033776

[C-]#[N+]c1ccc(-c2cnc(Nc3cc(NCC(=O)c4ccc(F)cc4)ccc3C)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
FLT1 P17948 7/20 0.40
FLT4 P35916 7/20 0.40
KDR P35968 7/20 0.40
ALDH1A1 P00352 2/20 0.37
AGTR1 P30556 2/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIT P10721 1/20 0.34
VCP P55072 4/20 0.34
ADCY1 Q08828 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
STING1 Q86WV6 1/20 0.32
DGAT1 O75907 1/20 0.32
IMPDH2 P12268 1/20 0.32

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
SCHEMBL2346522 0.88 ALOX5 (0.48) ALOX5FLT1FLT4KDRALDH1A1
SCHEMBL2338367 0.86 ALOX5 (0.47) ALOX5FLT1FLT4KDRALDH1A1
SCHEMBL10033774 0.84 ALOX5 (0.43) ALOX5KDRKIT
SCHEMBL10033771 0.83 ALOX5 (0.45) ALOX5FLT1FLT4KDRALDH1A1
SCHEMBL4597593 0.80 ALOX5 (0.41) ALOX5FLT1FLT4KDRALDH1A1
SCHEMBL10033770 0.80 FLT1 (0.42) ALOX5FLT1FLT4KDRVCP
SCHEMBL10033778 0.79 FLT1 (0.41) FLT1FLT4KDRALDH1A1AGTR1
SCHEMBL2343197 0.79 ALDH1A1 (0.47) FLT1FLT4KDRALDH1A1AGTR1
SCHEMBL10033773 0.78 KIT (0.45) ALOX5FLT1FLT4KDRKIT
SCHEMBL10033772 0.76 DGAT1 (0.44) FLT1FLT4KDRDGAT1

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 ALOX5 3096/4885FLT1 168/4885FLT4 110/4885
US-20120108616-A1 SUBSTITUTED OXAZOLE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS KIT, FLT3, LTK ALOX5 2289/4885FLT1 7/4885FLT4 6/4885

“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.