SCHEMBL6497126

SCHEMBL6497126

CCOC(=O)c1cccc(N2CC[C@@H](CNc3ncccn3)[C@@H]2O)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
GRIN2B Q13224 6/20 0.44
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PIK3CA P42336 1/20 0.40
PTGER4 P35408 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 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
SCHEMBL6508080 0.89 ATM (0.43) ATMGRIN2BALOX5SMN1; SMN2PIK3CA
SCHEMBL7471294 0.75 NOS2 (0.48) ATMALOX5SMN1; SMN2PIK3CAALDH1A1
SCHEMBL7470189 0.73 GRIN2B (0.36) GRIN2BALDH1A1
SCHEMBL7471282 0.72 AXL (0.46) GRIN2BSMN1; SMN2ALDH1A1
SCHEMBL6497131 0.71 ALOX5 (0.45) ATMALOX5SMN1; SMN2PIK3CATP53
SCHEMBL6498262 0.70 MAPT (0.54) ATMALOX5SMN1; SMN2PIK3CAALDH1A1
SCHEMBL6499159 0.70 ATM (0.43) ATMALOX5SMN1; SMN2PIK3CATP53
SCHEMBL6508082 0.70 ALOX5 (0.43) ATMALOX5SMN1; SMN2PIK3CATP53
SCHEMBL6507440 0.70 ATM (0.57) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL320425 0.69 ALOX5 (0.53) ATMALOX5SMN1; SMN2TP53POLB

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 ATM 4449/4885GRIN2B 820/4885ALOX5 1213/4885

“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.