SCHEMBL22012840

SCHEMBL22012840

O=C(CCC1N=N1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GLA P06280 1/20 0.46
NOTUM Q6P988 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CDC25B P30305 1/20 0.43

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
SCHEMBL1177836 0.82 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL2232191 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL20224984 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL3963428 0.78 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL18673 0.78 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL25186094 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL335071 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1
SCHEMBL9265342 0.78 KLK7 (0.60) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL7495579 0.78 KLK7 (0.57) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL20624816 0.77 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098155-A1 NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (INSA) (FR) 2022-03-31 US disclosed
WO-2020099596-A1 NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 UNIVERSITE DE ROUEN NORMANDIE (FR) 2020-05-22 WO 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-20220098155-A1 NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 SSTR5, SLC6A15, SLC1A5 ALDH1A1 2836/4885MAPK1 600/4885L3MBTL1 3841/4885

“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.