SCHEMBL17445801

SCHEMBL17445801

COC(=O)/C=C/CNC(=O)Cn1nc(C)cc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.56
PKM P14618 1/20 0.56
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 1/20 0.53
GAA P10253 2/20 0.50
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.46
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.43
GLA P06280 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
SCHEMBL17445784 0.74 NPC1 (0.35) SMN1; SMN2ALDH1A1POLBHTTKMT2A
SCHEMBL29388100 0.74 KDM4E (0.56) KDM4ELMNASMN1; SMN2ALDH1A1PKM
SCHEMBL20037188 0.74 LMNA (0.66) KDM4ELMNASMN1; SMN2ALDH1A1PKM
SCHEMBL17445794 0.70 NPC1 (0.57) KDM4ESMN1; SMN2POLBKMT2ARECQL
SCHEMBL17445830 0.69 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1CYP1A2CYP2C9GAA
SCHEMBL29388893 0.69 KDM4E (0.53) KDM4ELMNASMN1; SMN2ALDH1A1PKM
SCHEMBL17445815 0.68 PSMB5 (0.44) KDM4EALDH1A1GAAPOLBHPGD
SCHEMBL17445819 0.67 KDM4E (0.56) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4522189 0.67 LMNA (0.70) KDM4ELMNASMN1; SMN2ALDH1A1PKM
SCHEMBL15581474 0.67 LMNA (0.70) KDM4ELMNASMN1; SMN2ALDH1A1PKM

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 7 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
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
US-9586890-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) 2017-03-07 US disclosed
US-9586890-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) 2017-03-07 US disclosed
US-20160016893-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) 2016-01-21 US disclosed
US-20160016893-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) 2016-01-21 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-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 2790/4885LMNA 4732/4885SMN1; SMN2 4028/4885
US-20160016893-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, UBQLN1 KDM4E 2809/4885LMNA 3429/4885SMN1; SMN2 2107/4885
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 2790/4885LMNA 4732/4885SMN1; SMN2 4028/4885

“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.