SCHEMBL6015067

SCHEMBL6015067

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)NC3CCCCC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX1 P07099 4/20 0.46
EPHX2 P34913 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
MET P08581 1/20 0.44

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
SCHEMBL2296670 0.85 NR1I2 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL2296252 0.85 NR1I2 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL2299633 0.85 HTR1E (0.53) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5447209 0.85 EPHX2 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL2294942 0.82 HDAC3 (0.44) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5299923 0.82 NR1I2 (0.44) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL5298326 0.81 RAB9A (0.47) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL5294171 0.81 RAB9A (0.46) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL2296379 0.80 NPC1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL2295674 0.80 NPC1 (0.56) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed

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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 KDM4E 1654/4885ALDH1A1 1381/4885MAPT 4745/4885

“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.