SCHEMBL6510656

SCHEMBL6510656

OCC1Cn2c(nc3ccccc32)-c2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 2/20 0.37
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 2/20 0.36
GRM2 Q14416 1/20 0.36
RECQL P46063 2/20 0.36
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
NPY1R P25929 1/20 0.35

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
SCHEMBL6518540 0.82 LMNA (0.43) KDM4ERAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL6515586 0.82 SMN1; SMN2 (0.40) KDM4ERAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL6518702 0.80 KDM4E (0.49) KDM4ERAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL1243798 0.78 ALDH1A1 (0.41) KDM4ERAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL6520244 0.77 KDM4E (0.46) KDM4ERAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL6515650 0.76 PTGS2 (0.42) KDM4ERAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL6514777 0.70 PIK3CA (0.57) KDM4ERAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL6520273 0.69 GRM2 (0.39) GRM2
SCHEMBL6520245 0.67 KDM4E (0.35) KDM4ERAB9ANPC1GAAALDH1A1
SCHEMBL6511338 0.67 HTR3A (0.37) KDM4ERAB9ATSHRHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands NATIONAL SCIENCE FOUNDATION 2005-10-27 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 (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-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands TECR, PAICS, DCXR KDM4E 1602/4885RAB9A 4184/4885TSHR 1079/4885

“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.