SCHEMBL6100607

SCHEMBL6100607

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1CCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GRM5 P41594 1/20 0.39
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
METAP2 P50579 1/20 0.38
PAX8 Q06710 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APAF1 O14727 1/20 0.36

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
SCHEMBL8556230 0.67 GRM5 (0.66) L3MBTL1KDM4ENPC1RAB9AGRM5
SCHEMBL6101318 0.67 ALDH1A1 (0.45) L3MBTL1KDM4ESMN1; SMN2KMT2A
SCHEMBL6100663 0.67 CYP1B1 (0.39) KDM4EHSD17B10KMT2ANPSR1
Hydrochloric Acid SCHEMBL27657032 0.66 GRM5 (0.64) L3MBTL1KDM4ENPC1RAB9AGRM5
SCHEMBL6099694 0.66 CYP1B1 (0.41) KDM4EMEN1KMT2A
SCHEMBL16047323 0.66 GRM5 (0.47) KDM4ERAB9AGRM5MAPTPOLB
SCHEMBL24120011 0.66 MGLL (0.48) RAB9AGRM5MAPTSMN1; SMN2MEN1
SCHEMBL2817949 0.65 PIK3CD (0.41) KDM4EGRM5PARP1SMN1; SMN2MEN1
SCHEMBL5766292 0.65 CA12 (0.41) KDM4EALOX15HSD17B10MEN1KMT2A
SCHEMBL5767183 0.64 KMT2A (0.46) MAPTALOX15HSD17B10MEN1KMT2A

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 L3MBTL1 1366/4885KDM4E 4133/4885NPC1 807/4885

“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.