SCHEMBL6502232

SCHEMBL6502232

O=C(NCCC1SC(NC2CCCCCC2)=NC1=O)Nc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
EPHX2 P34913 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6509241 0.89 KMT2A (0.36) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL6500692 0.89 RAB9A (0.52) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL6502145 0.89 NPC1 (0.50) KMT2ANPC1RAB9AMEN1EPHX2
SCHEMBL6506411 0.86 SMN1; SMN2 (0.44) MAPTTP53SMN1; SMN2LMNAL3MBTL1
SCHEMBL6509220 0.84 NPC1 (0.48) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL6505267 0.84 ATM (0.41) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6390900 0.83 CCNA2 (0.41) KMT2ANPC1RAB9APOLBSMN1; SMN2
SCHEMBL6392368 0.83 CCNA2 (0.41) KMT2ANPC1RAB9APOLBSMN1; SMN2
SCHEMBL6388703 0.83 CCNA2 (0.41) KMT2ANPC1RAB9APOLBSMN1; SMN2
SCHEMBL6498512 0.83 NPC1 (0.40) NPC1RAB9APOLBEPHX2SMN1; 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 KMT2A 3213/4885NPC1 277/4885RAB9A 2649/4885

“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.