SCHEMBL4881439

SCHEMBL4881439

C(=C/c1ncc(-c2ccccc2)o1)\c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
RAB9A P51151 7/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOTUM Q6P988 1/20 0.46
KDR P35968 2/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL4881442 1.00 ALOX15 (0.50) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL4876221 0.88 CYP11B1 (0.57) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL4876228 0.88 CYP11B1 (0.57) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL4879888 0.85 RELA (0.54) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL4879892 0.85 RELA (0.54) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL8036996 0.79 ALOX15 (0.77) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL8036997 0.79 ALOX15 (0.77) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL28373186 0.78 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL1313699 0.78 ALOX15 (0.53) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL11563341 0.75 HPGD (0.54) ALOX15TSHRCASP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO claimed
US-8962665-B2 Thiazole and oxazole kinase inhibitors AB SCIENCE (FR) 2015-02-24 US disclosed
US-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2013-02-07 US disclosed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 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-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SYK, LTK, MERTK ALOX15 2480/4885TSHR 1291/4885CASP1 954/4885
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK ALOX15 2152/4885TSHR 4714/4885CASP1 3523/4885

“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.