SCHEMBL6505225

SCHEMBL6505225

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KMO O15229 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6497131 0.86 ALOX5 (0.45) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6501440 0.83 ALDH1A1 (0.40) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL6498068 0.75 ITGAV (0.43)
SCHEMBL6499454 0.72 KMT2A (0.44) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL6508082 0.72 ALOX5 (0.43) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6498399 0.70 KDM4E (0.52) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL18906049 0.66 MRGPRX4 (0.57) KDM4EKDM4CHIF1ANPC1RAB9A
SCHEMBL6501602 0.65 KDM4E (0.56) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL6497602 0.65 MEN1 (0.49) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL6497606 0.65 KDM4E (0.54) KMT2AMEN1HPGDALDH1A1KDM4E

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 KMT2A 1917/4885MEN1 1713/4885HPGD 4069/4885

“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.