SCHEMBL6493330

SCHEMBL6493330

COc1cc(OC)cc(N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)c1.O=C(c1[nH]cnc1-c1ccccc1)N1CCN(c2cccnc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 4/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCKAR P32238 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TACR3 P29371 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
KIT P10721 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 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
SCHEMBL6503239 0.84 KDM4E (0.56) KDM4EALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL6494111 0.83 GFER (0.49) KDM4EALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL6503020 0.82 GPBAR1 (0.58) KDM4EALDH1A1GPBAR1TDP1TP53
Hydrochloric Acid SCHEMBL6501843 0.81 GPBAR1 (0.57) KDM4EALDH1A1GPBAR1TDP1TP53
SCHEMBL6493236 0.79 KDM4E (0.57) KDM4EALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL6495212 0.70 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6262923 0.69 ALDH1A1 (0.57) KDM4EALDH1A1GPBAR1TDP1CCKAR
SCHEMBL1381055 0.69 LMNA (0.52) KDM4EALDH1A1TP53SMN1; SMN2CCKAR
SCHEMBL1381909 0.68 GFER (0.54) KDM4ETDP1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6415511 0.68 ALDH1A1 (0.53) KDM4EALDH1A1TP53SMN1; SMN2LMNA

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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC KDM4E 1246/4885ALDH1A1 240/4885GPBAR1 784/4885

“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.