SCHEMBL6510198

SCHEMBL6510198

O=C(NCCC1SC(NC2CCCCCCC2)=NC1=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.44
EPHX1 P07099 2/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6502177 0.88 CXCR4 (0.42) CXCR4
SCHEMBL6390689 0.87 ALDH1A1 (0.50) CXCR4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6392636 0.86 POLB (0.44) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6387585 0.86 POLB (0.44) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6393301 0.84 RAB9A (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6394209 0.84 RAB9A (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6390207 0.84 RAB9A (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6505517 0.83 RAB9A (0.41) CYP1A2MEN1KMT2AALDH1A1RAB9A
SCHEMBL6504984 0.81 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL6388874 0.81 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 CXCR4 781/4885EPHX1 299/4885CYP1A2 48/4885

“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.