SCHEMBL5004498

SCHEMBL5004498

C#Cc1cc(C)nc(C)c1.CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
VSIR Q9H7M9 1/20 0.36
PTPRC P08575 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRA3 P34903 1/20 0.34
GABRA4 P48169 1/20 0.34
LATS1 O95835 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.33
CALCA P06881 1/20 0.33
ABCB1 P08183 1/20 0.33
MIF P14174 1/20 0.33
TNF P01375 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
SCHEMBL5201034 0.81 VSIR (0.38) ALDH1A1GLAVSIRPTPRCLATS1
SCHEMBL10367814 0.81 MTNR1A (0.38) ALDH1A1GLAVSIRPTPRCLATS1
SCHEMBL10367555 0.80 APP (0.36) ALDH1A1GLAVSIRPTPRCLATS1
SCHEMBL783009 0.73 CA2 (0.41) VSIRPTPRCLATS1L3MBTL1GAA
SCHEMBL3720436 0.71 CYP1A1 (0.39) KDM4E
SCHEMBL3409876 0.70 VSIR (0.46) ALDH1A1GLAVSIRPTPRCLATS1
SCHEMBL1278083 0.70 CA12 (0.35) VSIRPTPRCLATS1L3MBTL1TDP1
SCHEMBL5004491 0.69 NR1D1 (0.34) ALDH1A1GLAGABRA1GABRG2GABRB3
SCHEMBL14721489 0.68 PSEN1 (0.43) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7433191 0.68 CA12 (0.50) PTPRCKDM4EHSD17B10GAA

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-20080305049-A1 Mri Contrast Agents for Diagnosis and Prognosis of Tumors YEDA RESEARCH AND DEVELOPMENT CO. LTD. AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 2008-12-11 US disclosed
EP-1848466-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-10-31 EP disclosed
WO-2006080022-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 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 (1 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-20080305049-A1 Mri Contrast Agents for Diagnosis and Prognosis of Tumors TFRC, FOLR1, CD14 ALDH1A1 4392/4885GLA 3498/4885VSIR 354/4885

“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.