SCHEMBL6697423

SCHEMBL6697423

O=C(Nc1ccccc1)Nc1cc(C(=O)N2CCNCC2)ccc1N1CCN(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CCNC P24863 4/20 0.44
CDK8 P49336 4/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6687513 0.85 NPSR1 (0.52) NPSR1ALDH1A1KMT2AHPGDMAPT
SCHEMBL29968692 0.85 NPSR1 (0.52) NPSR1ALDH1A1KMT2AHPGDMAPT
SCHEMBL6696478 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL6703117 0.81 MAPT (0.47) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL6694739 0.81 KMT2A (0.49) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL6701730 0.81 KMT2A (0.48) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL6700560 0.80 TP53 (0.60) NPSR1ALDH1A1KMT2AHPGDMAPT
SCHEMBL6805390 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL6698658 0.78 KMT2A (0.50) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL6701774 0.77 KDM4E (0.47) ALDH1A1KMT2AHPGDMAPTKDM4E

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 NPSR1 891/4885ALDH1A1 1583/4885KMT2A 4455/4885

“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.