SCHEMBL6701730

SCHEMBL6701730

O=C(Nc1ccccc1)Nc1cc(C(=O)N2CCNCC2)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
OPRD1 P41143 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CCNC P24863 6/20 0.46
CDK8 P49336 6/20 0.46
NPY2R P49146 1/20 0.45
FLT3 P36888 1/20 0.44
MEN1 O00255 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
SCHEMBL6698658 0.96 KMT2A (0.50) KMT2AALDH1A1HPGDOPRD1KDM4E
SCHEMBL6701834 0.95 TSHR (0.47) KMT2AALDH1A1HPGDOPRD1KDM4E
SCHEMBL6701774 0.94 KDM4E (0.47) KMT2AALDH1A1HPGDOPRD1KDM4E
SCHEMBL6701991 0.93 OPRD1 (0.47) OPRD1MAOBCCNCCDK8NPY2R
SCHEMBL6701311 0.92 KMT2A (0.45) KMT2AALDH1A1HPGDOPRD1KDM4E
SCHEMBL6701825 0.92 USP2 (0.50) KMT2AALDH1A1HPGDOPRD1KDM4E
SCHEMBL6702347 0.92 OPRD1 (0.44) KMT2AALDH1A1HPGDOPRD1KDM4E
SCHEMBL6703117 0.91 MAPT (0.47) KMT2AALDH1A1HPGDKDM4EMAPT
SCHEMBL6696335 0.90 ALDH1A1 (0.49) KMT2AALDH1A1HPGDOPRD1KDM4E
SCHEMBL6693686 0.89 KMT2A (0.49) KMT2AALDH1A1HPGDOPRD1MAPT

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-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-25 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-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders PLA2G4C, PLA2G4B, PLA2G5 KMT2A 4455/4885ALDH1A1 1583/4885HPGD 1196/4885

“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.