SCHEMBL20847148

SCHEMBL20847148

COC(=O)c1ccc(NCCOC2CCCCO2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.52
KDM4E B2RXH2 5/20 0.50
GAA P10253 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 3/20 0.44
HPGD P15428 3/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
PLEC Q15149 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL18424481 0.80 KMT2A (0.48) KDM4EGAAALDH1A1MAPTHSD17B10
SCHEMBL148034 0.79 KMT2A (0.43) KDM4EGAAALDH1A1MAPTHSD17B10
SCHEMBL18424472 0.78 KMT2A (0.46) KDM4EALDH1A1MEN1KMT2AALOX15
SCHEMBL2249029 0.77 PTGER4 (0.80) PTGER4KDM4EGAAALDH1A1MAPT
SCHEMBL29825520 0.77 PTGER4 (0.80) PTGER4KDM4EGAAALDH1A1MAPT
SCHEMBL18428786 0.77 KMT2A (0.47) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL16645316 0.76 CREBBP (0.44) KDM4EGAAALDH1A1MAPTHSD17B10
SCHEMBL27418994 0.76 ALDH1A1 (0.40) KDM4EGAAALDH1A1MAPTHSD17B10
SCHEMBL24306327 0.75 PTGER4 (0.58) PTGER4KDM4EGAAALDH1A1MAPT
SCHEMBL29052950 0.75 PTGER4 (0.58) PTGER4KDM4EGAAALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-05-16 US disclosed
US-20200216471-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. 2020-07-09 US disclosed
WO-2019060365-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. (US) 2019-03-28 WO 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 (2 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-11649251-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 PTGER4 4716/4885KDM4E 149/4885GAA 4292/4885
US-20200216471-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, MLLT3 PTGER4 4716/4885KDM4E 149/4885GAA 4292/4885

“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.