SCHEMBL6419798

SCHEMBL6419798

O=CNc1cccc(N2CCN(C(=O)c3cc(CO)nn3-c3ccccc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MGLL Q99685 1/20 0.41
USP2 O75604 4/20 0.41
MAPK1 P28482 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.41
HCRTR1 O43613 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SCD O00767 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6262316 0.86 TSHR (0.52) KMT2AUSP2MAPK1HTTMAPT
SCHEMBL6415168 0.83 LMNA (0.46) KMT2AMAPK1HTTMEN1LMNA
SCHEMBL6262843 0.83 ALDH1A1 (0.56) KMT2AMAPK1MAPTMEN1LMNA
SCHEMBL6260988 0.82 USP2 (0.49) KMT2AMGLLUSP2MAPK1MAPT
SCHEMBL6415460 0.82 HCRTR1 (0.48) KMT2AMGLLUSP2MAPK1HTT
SCHEMBL6260980 0.78 KMT2A (0.53) KMT2AMGLLMAPK1MAPTPOLB
SCHEMBL6264552 0.77 POLB (0.53) KMT2AMAPK1HTTMAPTPOLB
SCHEMBL6494948 0.77 FNTA (0.45) KMT2AUSP2MAPK1HTTMAPT
SCHEMBL20563461 0.76 HTT (0.52) KMT2AUSP2MAPK1HTTMAPT
SCHEMBL6416291 0.75 TSHR (0.50) KMT2AUSP2MAPK1HTTMAPT

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 2 patents. 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
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US disclosed

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 KMT2A 1284/4885MGLL 3034/4885USP2 2490/4885

“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.