SCHEMBL6414178

SCHEMBL6414178

COc1cccc(N2CCN(C(=O)c3[nH]nc4ccccc34)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 6/20 0.54
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
NAMPT P43490 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL6417259 0.87 MAPT (0.48) ALDH1A1LMNAMAPTTP53HTR6
SCHEMBL6418208 0.85 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL18854912 0.81 KMT2A (0.66) ALDH1A1KMT2ALMNAGAAKDM4E
SCHEMBL19561830 0.76 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTNAMPT
SCHEMBL6488791 0.75 KMT2A (0.58) ALDH1A1KMT2ALMNAGAAKDM4E
SCHEMBL21657707 0.75 KMT2A (0.54) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL6493236 0.74 KDM4E (0.57) ALDH1A1KMT2ALMNAKDM4EMAPT
SCHEMBL27739890 0.74 KMT2A (0.65) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL6481851 0.74 KMT2A (0.59) ALDH1A1KMT2ALMNAGAAKDM4E
SCHEMBL2607644 0.73 KMT2A (0.67) KMT2ALMNAGAAMAPT

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT ALDH1A1 360/4885KMT2A 1284/4885LMNA 2233/4885

“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.