SCHEMBL5016732

SCHEMBL5016732

SCCn1cnc(-c2ccncc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HDAC1 Q13547 6/20 0.34
HDAC6 Q9UBN7 6/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
NSD3 Q9BZ95 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAPK14 Q16539 1/20 0.30
DYRK1A Q13627 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
FRK P42685 1/20 0.30
MAPK9 P45984 1/20 0.30

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
SCHEMBL5015454 0.83 MAP4K4 (0.38) USP2TSHRHDAC1HDAC6PRKD3
SCHEMBL2641158 0.81 HDAC1 (0.52) USP2TSHRHDAC1HDAC6MAPT
SCHEMBL9887875 0.75 KIF11 (0.35) USP2TSHRHDAC1HDAC6MAPT
SCHEMBL5017267 0.70 DYRK1A (0.41) MAPTMEN1KMT2ALMNADYRK1A
Hydrochloric Acid SCHEMBL14736481 0.66 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL5015554 0.65 HDAC1 (0.55) USP2TSHRHDAC1HDAC6MAPT
SCHEMBL12395816 0.65 HDAC1 (0.52) USP2TSHRHDAC1HDAC6MAPT
SCHEMBL2641155 0.65 HDAC1 (0.52) USP2TSHRHDAC1HDAC6MAPT
SCHEMBL15489049 0.64 MTOR (0.39) HDAC1HDAC6MEN1ALDH1A1KMT2A
SCHEMBL8656324 0.64 HDAC1 (0.45) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 USP2 1503/4885TSHR 2218/4885HDAC1 100/4885

“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.