SCHEMBL5017255

SCHEMBL5017255

O=C(O)CSCCc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
ALDH1A1 P00352 6/20 0.58
LMNA P02545 3/20 0.58
MAPK1 P28482 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL5017190 0.90 CYP1A2 (0.55) HTTALDH1A1LMNAMAPK1MEN1
SCHEMBL5169135 0.83 CYP1A2 (0.73) HTTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL1825837 0.80 HTT (0.58) HTTALDH1A1LMNAMAPK1TP53
SCHEMBL29595035 0.80 HTT (0.58) HTTALDH1A1LMNAMAPK1TP53
SCHEMBL18163307 0.79 HTT (0.54) HTTALDH1A1LMNAMAPK1CYP1A2
Hydrochloric Acid SCHEMBL19951065 0.77 HTT (0.52) HTTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL10389957 0.77 HTT (0.56) HTTALDH1A1LMNAMAPK1MEN1
SCHEMBL7357437 0.77 HTT (0.53) HTTALDH1A1LMNAMAPK1MEN1
SCHEMBL21427814 0.77 HTT (0.55) HTTALDH1A1LMNAMAPK1TP53
SCHEMBL31058794 0.77 HTT (0.55) HTTALDH1A1LMNAMAPK1TP53

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 HTT 3545/4885ALDH1A1 3307/4885LMNA 333/4885

“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.