SCHEMBL23488101

SCHEMBL23488101

O=C(O)c1ccc(OCc2cn3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 1.00
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ ALDH1A1 P00352 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ PDE10A Q9Y233 1/20 0.62
▸ TDP1 Q9NUW8 5/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TSHR P16473 1/20 0.58
▸ HPGD P15428 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ GPBAR1 Q8TDU6 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ HCRTR1 O43613 1/20 0.52
▸ NR4A1 P22736 1/20 0.51

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
SCHEMBL23488102 0.89 KDM4E (0.80) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17694678 0.86 KDM4E (0.78) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4726835 0.81 NPC1 (0.75) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1695688 0.80 KDM4E (0.66) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1695687 0.80 KDM4E (0.66) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11427962 0.80 KDM4E (0.72) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16212418 0.80 KDM4E (0.66) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6157404 0.77 KDM4E (0.61) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6157401 0.77 KDM4E (0.61) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3476282 0.76 KDM4E (0.67) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1

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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-06-10 — — 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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 KDM4E 4293/4885SMN1; SMN2 3945/4885NPC1 1840/4885

“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.

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