SCHEMBL20523795

SCHEMBL20523795

N#CCC(=O)OCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.44
CYP17A1 P05093 1/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XDH P47989 1/20 0.40
NAMPT P43490 1/20 0.40
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6447470 0.84 CYP19A1 (0.45) CYP19A1CYP17A1KMT2AKDM4EKEAP1
SCHEMBL187996 0.82 ALDH1A1 (0.61) KMT2AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL20523807 0.81 CYP17A1 (0.49) CYP19A1CYP17A1KMT2AMAPTALDH1A1
SCHEMBL28997377 0.80 POLB (0.53) CYP19A1CYP17A1KMT2AKDM4EKEAP1
SCHEMBL20523786 0.79 KMT2A (0.45) KMT2AKDM4EMAPTALDH1A1MAPK1
SCHEMBL11522867 0.79 MAPT (0.48) KMT2APOLBMAPTALDH1A1MAPK1
SCHEMBL11703006 0.77 ALDH1A1 (0.50) KMT2APOLBALDH1A1MAPK1L3MBTL1
SCHEMBL23049788 0.77 CYP19A1 (0.47) CYP19A1CYP17A1KMT2AKDM4EKEAP1
SCHEMBL6443516 0.77 NAMPT (0.49) CYP19A1CYP17A1KMT2AKDM4EKEAP1
SCHEMBL22981515 0.76 MEN1 (0.38) KMT2AKDM4EMAPTALDH1A1MAPK1

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-11633415-B2 Compounds and methods useful for treating or preventing cancers THE BROAD INSTITUTE, INC. (US) 2023-04-25 US disclosed
US-20220096513-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS THE BROAD INSTITUTE, INC. (US) 2022-03-31 US disclosed
WO-2018183936-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS THE BROAD INSTITUTE, INC. (US) 2018-10-04 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-20220096513-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS CSNK1A1, CSNK2A1, CSNK2A3 CYP19A1 1109/4885CYP17A1 1560/4885KMT2A 74/4885
US-11633415-B2 Compounds and methods useful for treating or preventing cancers CSNK1A1, CSNK2A1, CSNK2A3 CYP19A1 1109/4885CYP17A1 1560/4885KMT2A 74/4885

“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.