SCHEMBL17445828

SCHEMBL17445828

COC(=O)/C=C/CNC(=O)c1nn(C)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 5/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 7/20 0.46
GAA P10253 5/20 0.46
ALPL P05186 1/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 1/20 0.41
GLA P06280 1/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL985062 0.72 KMT2A (0.59) SMN1; SMN2RAB9ALMNATSHRKDM4E
SCHEMBL17445843 0.69 NAMPT (0.40) KDM4EGAAPOLBKMT2AALDH1A1
SCHEMBL17445809 0.68 KCNA6 (0.33) SMN1; SMN2KDM4EKMT2AMEN1HPGD
SCHEMBL17445812 0.68 MAOB (0.52) RAB9ALMNAKMT2AALDH1A1MEN1
SCHEMBL4113392 0.68 POLB (0.51) SMN1; SMN2RAB9ALMNATSHRKDM4E
SCHEMBL17445797 0.68 GAA (0.42) SMN1; SMN2RAB9ALMNAKDM4EGAA
SCHEMBL19098788 0.67 LMNA (0.54) SMN1; SMN2RAB9ALMNATSHRKDM4E
SCHEMBL17445844 0.67 ALDH1A1 (0.50) POLBALDH1A1
SCHEMBL17445805 0.66 FDPS (0.37) SMN1; SMN2RAB9AKDM4EGAAPOLB
SCHEMBL982676 0.65 KMT2A (0.57) SMN1; SMN2RAB9ALMNATSHRKDM4E

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 SMN1; SMN2 4028/4885RAB9A 1779/4885LMNA 4732/4885
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 SMN1; SMN2 2107/4885RAB9A 1129/4885LMNA 3429/4885
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 SMN1; SMN2 4028/4885RAB9A 1779/4885LMNA 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.