SCHEMBL6497131

SCHEMBL6497131

CCOC(=O)c1cccc(N2CCC[C@]2(O)CNc2ncccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ATM Q13315 1/20 0.40
PIK3CA P42336 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
JMJD6 Q6NYC1 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.38
SYK P43405 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL6508082 0.87 ALOX5 (0.43) ALOX5SMN1; SMN2ATMPIK3CALMNA
SCHEMBL6505225 0.86 KMT2A (0.43) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL6499714 0.81 ALOX5 (0.51) ALOX5SMN1; SMN2ATMLMNAALDH1A1
SCHEMBL6499164 0.78 ALOX5 (0.44) ALOX5SMN1; SMN2ATMPIK3CALMNA
SCHEMBL6501440 0.74 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1ALOX15KDM4E
SCHEMBL6506790 0.74 ALOX5 (0.52) ALOX5SMN1; SMN2ATMLMNAALDH1A1
SCHEMBL6499063 0.72 ALOX5 (0.50) ALOX5SMN1; SMN2ATMLMNAALDH1A1
SCHEMBL6501205 0.72 ALOX5 (0.49) ALOX5SMN1; SMN2ATMLMNAALDH1A1
SCHEMBL6497126 0.71 ATM (0.45) ALOX5SMN1; SMN2ATMPIK3CALMNA
SCHEMBL7471294 0.71 NOS2 (0.48) ALOX5SMN1; SMN2ATMPIK3CALMNA

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 ALOX5 1213/4885SMN1; SMN2 1363/4885ATM 4449/4885

“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.