SCHEMBL6696478

SCHEMBL6696478

O=C(Nc1ccccc1)Nc1cc(C(=O)N2CCNCC2)ccc1N1CCN(C2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
L3MBTL3 Q96JM7 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
OPRK1 P41145 1/20 0.48
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
L3MBTL4 Q8NA19 1/20 0.48
PHF20 Q9BVI0 1/20 0.48
MORF4L1 Q9UBU8 1/20 0.48
NAMPT P43490 2/20 0.48
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL6699144 0.87 GAA (0.48) ALDH1A1KMT2AHPGDL3MBTL1L3MBTL3
SCHEMBL6697423 0.85 NPSR1 (0.49) ALDH1A1KMT2AHPGDL3MBTL1TSHR
SCHEMBL6701730 0.81 KMT2A (0.48) ALDH1A1KMT2AHPGDTSHRKDM4E
SCHEMBL6694739 0.81 KMT2A (0.49) ALDH1A1KMT2AHPGDL3MBTL1TSHR
SCHEMBL6700560 0.81 TP53 (0.60) ALDH1A1KMT2AHPGDL3MBTL1NAMPT
SCHEMBL6805390 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDTSHRGAA
SCHEMBL6698658 0.80 KMT2A (0.50) ALDH1A1KMT2AHPGDOPRK1TSHR
SCHEMBL6703117 0.80 MAPT (0.47) ALDH1A1KMT2AHPGDTSHRGAA
SCHEMBL6701774 0.78 KDM4E (0.47) ALDH1A1KMT2AHPGDTSHRKDM4E
SCHEMBL6698106 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDL3MBTL1TSHR

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 ALDH1A1 1583/4885KMT2A 4455/4885HPGD 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.