SCHEMBL6701774

SCHEMBL6701774

O=C(Nc1ccccc1)Nc1cc(C(=O)N2CCNCC2)ccc1N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
OPRD1 P41143 5/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6701730 0.94 KMT2A (0.48) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL6700088 0.93 OPRD1 (0.43) OPRD1LMNATP53CCNCCDK8
SCHEMBL6701834 0.91 TSHR (0.47) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL6698658 0.90 KMT2A (0.50) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL6701299 0.90 OPRD1 (0.43) MAPTOPRD1LMNATP53CCNC
SCHEMBL6696335 0.88 ALDH1A1 (0.49) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL6701991 0.87 OPRD1 (0.47) OPRD1CCNCCDK8
SCHEMBL6701311 0.86 KMT2A (0.45) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL6702347 0.86 OPRD1 (0.44) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL6701825 0.86 USP2 (0.50) KDM4EMAPTHPGDALDH1A1KMT2A

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 KDM4E 3920/4885MAPT 4701/4885HPGD 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.