SCHEMBL21130396

SCHEMBL21130396

Nc1nc(C(=O)Nc2cccc(Cl)c2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
LMNA P02545 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ALDH1A1 P00352 2/20 0.67
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
HPGD P15428 1/20 0.67
ATM Q13315 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
THRB P10828 1/20 0.60
GRM4 Q14833 2/20 0.59
HDAC6 Q9UBN7 1/20 0.59
FADS1 O60427 2/20 0.55
KDR P35968 1/20 0.54
AHR P35869 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL19914355 0.85 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL259112 0.85 IRAK4 (0.61) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL19914352 0.84 TDP1 (0.66) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21066417 0.81 MAPT (0.67) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29496401 0.75 GRM4 (1.00) SMN1; SMN2THRBGRM4HDAC6KDR
SCHEMBL2530324 0.75 GRM4 (1.00) SMN1; SMN2THRBGRM4HDAC6KDR
SCHEMBL3595563 0.75 L3MBTL1 (0.77) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21130623 0.74 L3MBTL1 (0.57) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31216498 0.74 MAPT (0.71) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL12268076 0.74 RAB9A (0.58) MAPTSMN1; SMN2MEN1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 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 (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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 MAPT 1807/4885SMN1; SMN2 4315/4885MEN1 725/4885

“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.