SCHEMBL5534739

SCHEMBL5534739

COC(=O)c1ccc(NC(=O)c2cccs2)c(C(=O)Nc2ccc(C#N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 4/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
GRM4 Q14833 1/20 0.49
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL2723367 0.89 L3MBTL1 (0.54) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL8888157 0.80 NPC1 (0.75) MAPTSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL10246587 0.76 PLAU (0.53) MAPTSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL23011785 0.76 KMT2A (0.57) MAPTSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL31311058 0.74 TMPRSS4 (0.53) TSHRMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL31311144 0.72 NPC1 (0.65) TSHRSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL2833360 0.72 NPC1 (0.65) TSHRSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL10246590 0.72 ALDH1A1 (0.51) TSHRMAPTSMN1; SMN2RAB9APOLB
SCHEMBL1579925 0.72 KMT2A (0.68) TSHRMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL17354442 0.71 MEN1 (0.71) MAPTSMN1; SMN2RAB9AKDM4ENPC1

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-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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 (1 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 TSHR 105/4885MAPT 1060/4885SMN1; SMN2 84/4885

“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.