SCHEMBL4013192

SCHEMBL4013192

O=C(O)NCc1cc(CO)no1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
NOTUM Q6P988 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.38
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.37
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6404146 0.85 EPHX2 (0.43) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6402461 0.82 PPARA (0.49) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6407566 0.81 RAB9A (0.46) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL27232984 0.79 EPHX2 (0.40) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4204403 0.79 EPHX2 (0.57) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2123367 0.77 EPHX2 (0.41) EPHX2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6402401 0.76 POLB (0.49) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4017999 0.76 IGF1R (0.44) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6402627 0.75 EPHX1 (0.51) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4009973 0.73 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2POLBALDH1A1

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-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 EPHX2 1438/4885NOTUM 1823/4885NPC1 13/4885

“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.