SCHEMBL5017289

SCHEMBL5017289

CC(=O)c1ccc(-c2cnn(CCCS)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 4/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
XDH P47989 1/20 0.39
MAOB P27338 1/20 0.38
KCNH2 Q12809 4/20 0.37
CREBBP Q92793 3/20 0.36
BRD4 O60885 2/20 0.36
PAICS P22234 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL7126741 0.86 KCNH2 (0.40) HSD17B1L3MBTL1MAPTSMN1; SMN2NAMPT
SCHEMBL5015446 0.86 KCNH2 (0.40) HSD17B1L3MBTL1MAPTSMN1; SMN2NAMPT
SCHEMBL5017288 0.86 HSD17B1 (0.40) HSD17B1L3MBTL1MAPTSMN1; SMN2NAMPT
SCHEMBL27566193 0.84 HSD17B1 (0.43) HSD17B1L3MBTL1MAPTSMN1; SMN2NAMPT
SCHEMBL14086510 0.84 MAPT (0.39) HSD17B1L3MBTL1MAPTSMN1; SMN2NAMPT
SCHEMBL2641179 0.77 L3MBTL1 (0.57) L3MBTL1MAPTNAMPTKCNH2CREBBP
SCHEMBL5017543 0.77 MEN1 (0.43) MAPTMKNK2KCNH2GRIN2B
SCHEMBL19662826 0.76 MKNK1 (0.61) HSD17B1MAPTSMN1; SMN2NAMPTMKNK1
SCHEMBL2952564 0.75 L3MBTL1 (0.57) L3MBTL1MAPTSMN1; SMN2NAMPT
SCHEMBL2388202 0.74 L3MBTL1 (0.56) L3MBTL1MAPTSMN1; SMN2

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
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

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 HSD17B1 248/4885L3MBTL1 166/4885MAPT 4858/4885

“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.