SCHEMBL6508913

SCHEMBL6508913

O=C(NCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 3/20 0.39
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
PPARD Q03181 1/20 0.35
IL1B P01584 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6506781 0.89 P2RX7 (0.39) POLBP2RX7HPGDNPC1RAB9A
SCHEMBL6392731 0.88 EPHX2 (0.33) L3MBTL1IL1BKDM4EMAPT
SCHEMBL14440562 0.86 NAMPT (0.39) POLBL3MBTL1P2RX7KMT2ANPC1
SCHEMBL6506994 0.85 KMT2A (0.35) TDP1L3MBTL1P2RX7KMT2ASMN1; SMN2
SCHEMBL6429092 0.84 PARP1 (0.33) P2RX7
SCHEMBL1605544 0.81 RAB9A (0.40) TDP1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL14531211 0.81 RAB9A (0.40) TDP1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6498497 0.81 TP53 (0.41) KMT2AHPGDNPC1RAB9ALMNA
SCHEMBL6427119 0.81 PPARD (0.38) LMNAPPARDMAPTGAA
SCHEMBL6388738 0.81 POLB (0.43) POLBP2RX7HPGDSMN1; SMN2IL1B

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 POLB 1038/4885THRB 1263/4885RECQL 560/4885

“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.