SCHEMBL21028577

SCHEMBL21028577

O=c1nc(OCc2ccccc2)nc(OCc2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.50
HCAR2 Q8TDS4 1/20 0.46
ELANE P08246 1/20 0.43
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CLK4 Q9HAZ1 1/20 0.41
XDH P47989 1/20 0.41
LMNA P02545 1/20 0.40
PIN1 Q13526 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL20769192 0.82 KDM4C (0.51) KDM4CHCAR2ELANEALDH1A1XDH
SCHEMBL11009131 0.76 TSHR (0.52) CYP1A2TSHRLMNAPIN1L3MBTL1
SCHEMBL6473755 0.73 KDM4C (0.75) KDM4CHCAR2ELANERAB9AMAOB
SCHEMBL9118233 0.70 GAA (0.53) KDM4CELANEALDH1A1TSHRL3MBTL1
SCHEMBL16910470 0.70 KDM4C (0.49) KDM4CHCAR2ELANEXDHLMNA
SCHEMBL6767397 0.69 KDM4C (0.45) KDM4CHCAR2ELANEALDH1A1XDH
SCHEMBL27761422 0.69 HSD17B10 (0.54) KDM4CELANEALDH1A1TSHRL3MBTL1
SCHEMBL23406246 0.68 ALOX5 (0.44) ELANECYP1A2ALDH1A1TSHRCLK4
SCHEMBL22686879 0.68 PIN1 (0.45) CYP1A2ALDH1A1TSHRCLK4LMNA
SCHEMBL578063 0.68 PIN1 (0.49) CYP1A2ALDH1A1TSHRCLK4LMNA

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
EP-4551210-A1 BIFACIAL PEPTIDE NUCLEIC ACID PROBES AND METHODS OF USING THEREOF Ohio State Innovation Foundation (US) 2025-05-14 EP disclosed
WO-2024010977-A1 BIFACIAL PEPTIDE NUCLEIC ACID PROBES AND METHODS OF USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2024-01-11 WO disclosed
US-20190161455-A1 METHOD FOR PRODUCING ISOCYANURIC ACID DERIVATIVE HAVING ONE HYDROCARBON GROUP NISSAN CHEMICAL CORPORATION (JP) 2019-05-30 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-20190161455-A1 METHOD FOR PRODUCING ISOCYANURIC ACID DERIVATIVE HAVING ONE HYDROCARBON GROUP CYP2S1, CYP2F1, CYP1A1 KDM4C 270/4885HCAR2 902/4885ELANE 1892/4885

“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.