SCHEMBL3286985

SCHEMBL3286985

O=C(O)c1ccc2c(c1)CN(C(=O)Cc1cccc3ccccc13)CC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.44
KRAS P01116 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MYC P01106 1/20 0.43
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 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
SCHEMBL3089936 0.84 ERCC1 (0.54) KMT2ARAB9ANPC1KDM4EKRAS
SCHEMBL3286990 0.81 NPC1 (0.52) KMT2AMEN1RAB9ANPC1MYC
SCHEMBL3281222 0.81 MYC (0.53) CYP2C9PTGDR2KMT2AKDM4ETAAR1
SCHEMBL3282335 0.78 HDAC6 (0.44) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL3281763 0.74 TSHR (0.50) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL3281279 0.74 MYC (0.58) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL28052395 0.73 MYC (0.56) KMT2AMEN1MYCMAPK1
SCHEMBL17560248 0.72 PRMT5 (0.57) KMT2AMEN1NPC1KDM4EKRAS
SCHEMBL3284599 0.72 KMT2A (0.51) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL3287854 0.72 ESR1 (0.73)

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-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 CYP2C9 4426/4885PTGDR2 4448/4885KMT2A 66/4885

“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.