SCHEMBL21066375

SCHEMBL21066375

CCOC(=O)c1csc(Nc2nc3cc(Cl)ccc3o2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.53
ANO1 Q5XXA6 2/20 0.53
MAPK1 P28482 1/20 0.53
EGFR P00533 1/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSP90AA1 P07900 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL19899577 0.85 KDM4E (0.50) L3MBTL1LMNAMAPK1RAB9ANPC1
SCHEMBL19899754 0.84 KCNH2 (0.60) ANO1KCNH2MEN1KMT2AGAA
SCHEMBL19899555 0.83 KCNH2 (0.53) LMNAANO1MAPK1MAPTCYP1A2
SCHEMBL19899792 0.79 HRH4 (0.45) ANO1MAPK1RAB9ANPC1KDM4E
SCHEMBL5041112 0.78 EGFR (0.73) L3MBTL1LMNAANO1MAPK1EGFR
SCHEMBL19914365 0.78 KCNH2 (0.47) EGFRRAB9ANPC1KCNH2MEN1
SCHEMBL4722539 0.78 L3MBTL1 (0.58) L3MBTL1LMNAANO1MAPK1EGFR
SCHEMBL4720801 0.76 LMNA (0.61) L3MBTL1LMNAANO1MAPK1EGFR
SCHEMBL525388 0.74 EGFR (0.58) L3MBTL1LMNAANO1MAPK1EGFR
SCHEMBL19899558 0.74 KDM1A (0.46) RAB9AMAPTKCNH2MEN1KMT2A

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
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 L3MBTL1 4525/4885LMNA 1548/4885ANO1 2855/4885

“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.