SCHEMBL18910653

SCHEMBL18910653

COC(=O)CCCNC(=O)Cn1c(=O)cc(C)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 1/20 0.45
GAA P10253 1/20 0.44
MARK4 Q96L34 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL17445819 0.77 KDM4E (0.56) KDM4ELMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL15709048 0.74 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL15330889 0.69 SMN1; SMN2 (0.67) TSHRLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1002948 0.69 FABP4 (0.67) KDM4ETSHRCNR2SMN1; SMN2MAPT
SCHEMBL24823213 0.68 CNR2 (0.53) KDM4ETSHRLMNACNR2ALDH1A1
SCHEMBL17066941 0.68 MEN1 (0.69) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL30367071 0.68 MEN1 (0.69) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL1004258 0.66 FABP4 (0.64) KDM4ETSHRCNR2ALDH1A1SMN1; SMN2
SCHEMBL31367787 0.66 FABP4 (0.64) KDM4ETSHRCNR2ALDH1A1SMN1; SMN2
SCHEMBL3202252 0.66 KDM4E (0.69) KDM4ETSHRLMNAALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2019-04-30 US disclosed
US-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 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 (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-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, CUL1 KDM4E 2790/4885TSHR 4352/4885LMNA 4732/4885
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NEDD4, STUB1, CUL1 KDM4E 2790/4885TSHR 4352/4885LMNA 4732/4885

“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.