SCHEMBL21392974

SCHEMBL21392974

C=CC(=O)N1CCOc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.65
POLB P06746 1/20 0.56
PDK1 Q15118 1/20 0.55
THRB P10828 1/20 0.50
MAPT P10636 5/20 0.49
RXFP1 Q9HBX9 3/20 0.47
LMNA P02545 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
KMT2A Q03164 1/20 0.46
NR3C2 P08235 1/20 0.45
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL20205020 0.84 NOTUM (0.65) NOTUMPOLBPDK1THRBMAPT
SCHEMBL6648039 0.83 NOTUM (0.73) NOTUMPOLBPDK1THRBMAPT
SCHEMBL4969919 0.82 NOTUM (0.61) NOTUMPOLBPDK1THRBMAPT
SCHEMBL4969128 0.82 NOTUM (0.61) NOTUMPOLBPDK1THRBMAPT
SCHEMBL4969115 0.82 NOTUM (0.61) NOTUMPOLBPDK1THRBMAPT
SCHEMBL12519575 0.80 EGFR (0.47) NOTUM
SCHEMBL1548726 0.79 NOTUM (0.71) NOTUMPOLBPDK1THRBMAPT
SCHEMBL16144907 0.79 NOTUM (0.71) NOTUMPOLBPDK1THRBMAPT
SCHEMBL7350334 0.79 NOTUM (1.00) NOTUMPOLBPDK1THRBMAPT
SCHEMBL22895349 0.79 CCNK (0.52) NOTUMPOLBNR3C2RAB9A

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-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 NOTUM 4238/4885POLB 2880/4885PDK1 1664/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 NOTUM 4238/4885POLB 2880/4885PDK1 1664/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 NOTUM 1464/4885POLB 2308/4885PDK1 11/4885

“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.