SCHEMBL4987515

SCHEMBL4987515

COc1ccc(-n2nc(C(=O)O)nc2-c2ccc(C)cn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
OXTR P30559 2/20 0.36
AVPR1A P37288 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SMO Q99835 1/20 0.35
NNMT P40261 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PABPC1 P11940 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL14186820 0.89 OXTR (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AOXTR
SCHEMBL4987571 0.89 HTT (0.40) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL4989843 0.88 LMNA (0.39) SMN1; SMN2L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL4984447 0.88 OXTR (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AOXTR
SCHEMBL4988506 0.87 OXTR (0.40) SMN1; SMN2L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL5786710 0.87 KMT2A (0.45) SMN1; SMN2L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL4984496 0.86 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL4992350 0.86 TSPO (0.35) SMN1; SMN2L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL5782756 0.86 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1KDM4EHSD17B10MEN1
SCHEMBL4992361 0.86 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1KDM4EHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SMN1; SMN2 3713/4885L3MBTL1 4631/4885KDM4E 3802/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SMN1; SMN2 3027/4885L3MBTL1 4745/4885KDM4E 2853/4885

“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.