SCHEMBL21169301

SCHEMBL21169301

COc1ccc(CN2CCN(C(=O)C(C)C)CC2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
KDM4E B2RXH2 5/20 0.73
MEN1 O00255 5/20 0.73
TP53 P04637 1/20 0.73
MAPK1 P28482 1/20 0.73
FAAH O00519 1/20 0.62
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
ALDH1A1 P00352 2/20 0.58
MTNR1B P49286 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL19049371 0.85 KDM4E (0.70) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL1600111 0.83 KMT2A (0.65) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL19002673 0.83 KDM4E (0.75) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL19002677 0.82 KMT2A (0.66) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL20665217 0.81 ALDH1A1 (0.74) KMT2AKDM4EMEN1FAAHALDH1A1
SCHEMBL8225348 0.78 KMT2A (0.58) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL18182316 0.77 MAPK1 (0.72) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL3917099 0.77 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1
SCHEMBL2601932 0.77 KMT2A (0.57) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL13546095 0.77 KDM4E (0.94) KMT2AKDM4EMEN1TP53ALDH1A1

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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 (3 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 KMT2A 3181/4885KDM4E 3018/4885MEN1 3536/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885KDM4E 3392/4885MEN1 4080/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KMT2A 2512/4885KDM4E 1755/4885MEN1 2824/4885

“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.