SCHEMBL20847149

SCHEMBL20847149

O=c1[nH]c2cc(CO)ccc2n1CCOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
P2RX3 P56373 11/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL20847152 0.83 HPGD (0.41) HPGDP2RX3MEN1KMT2AALDH1A1
SCHEMBL7058025 0.82 HPGD (0.62) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20847153 0.82 ALDH1A1 (0.51) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL145903 0.74 KDM4C (0.44) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL16634668 0.73 KMT2A (0.45) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5422297 0.72 KDM4C (0.51) P2RX3MEN1KMT2AKDM4CRAB9A
SCHEMBL377967 0.72 KDM4C (0.44) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL5429878 0.71 KDM4C (0.49) P2RX3MEN1KMT2AALDH1A1KDM4C
SCHEMBL18045760 0.70 MEN1 (0.47) P2RX3MEN1KMT2AKDM4CRAB9A
SCHEMBL3744988 0.69 MEN1 (0.49) P2RX3MEN1KMT2AALDH1A1SMN1; SMN2

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 4 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-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 HPGD 4277/4885P2RX3 4856/4885MEN1 2/4885
US-20200216471-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, MLLT3 HPGD 4277/4885P2RX3 4856/4885MEN1 2/4885

“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.