SCHEMBL6499159

SCHEMBL6499159

CCOC(=O)c1cccc(N2CC[C@@H](OC)[C@H](Nc3ncccn3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
ALOX5 P09917 1/20 0.41
OPRK1 P41145 4/20 0.41
JMJD6 Q6NYC1 1/20 0.40
METAP1 P53582 1/20 0.39
PIK3CA P42336 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL6499452 0.88 ALDH1A1 (0.43) ALDH1A1OPRK1KDM4EHSD17B10
SCHEMBL7471294 0.83 NOS2 (0.48) ATMSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL3100227 0.75 ATM (0.55) ATMSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL7469405 0.75 KMT2A (0.37) SMN1; SMN2ALDH1A1MAPK1KDM4EHTT
SCHEMBL6499620 0.74 ATM (0.54) ATMSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL6503786 0.74 ATM (0.54) ATMSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL382149 0.74 OPRK1 (0.51) SMN1; SMN2MAPTALDH1A1MAPK1OPRK1
SCHEMBL383015 0.74 OPRK1 (0.51) SMN1; SMN2MAPTALDH1A1MAPK1OPRK1
SCHEMBL6504848 0.73 ATM (0.51) ATMSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL6498262 0.73 MAPT (0.54) ATMSMN1; SMN2MAPTALDH1A1MAPK1

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 4449/4885SMN1; SMN2 1363/4885MAPT 4805/4885

“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.