SCHEMBL21066337

SCHEMBL21066337

N=C(S)Sc1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
AGPAT2 O15120 2/20 0.37
LMNA P02545 2/20 0.36
PTPN2 P17706 4/20 0.36
PTPN1 P18031 4/20 0.36
PTPN5 P54829 4/20 0.36
HSPD1 P10809 2/20 0.36
HSPE1 P61604 2/20 0.36
AKR1B1 P15121 1/20 0.35
MAOB P27338 1/20 0.34
UTRN P46939 1/20 0.34
PTGS2 P35354 1/20 0.34
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL21066360 0.78 MAPT (0.49) KDM4ELMNA
SCHEMBL11094667 0.78 KDM4E (0.41) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL11123547 0.73 LMNA (0.51) PIM1PIM2LMNAAKR1B1PTGS2
SCHEMBL1705418 0.72 KDM4E (0.42) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL31208289 0.72 KDM4E (0.42) KDM4EHDAC3HDAC1HDAC2HDAC8
Methane SCHEMBL11094670 0.71 HDAC3 (0.43) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL10897276 0.69 AKR1B1 (0.51) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL19899576 0.69 AGPAT2 (0.42) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL19899503 0.69 HDAC3 (0.44) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL3080166 0.69 AGPAT2 (0.45) KDM4EHDAC3HDAC1HDAC2HDAC8

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 KDM4E 3731/4885HDAC3 2255/4885HDAC1 967/4885

“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.