SCHEMBL16227482

SCHEMBL16227482

O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cnc(Cl)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.47
BCHE P06276 2/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
EPHX2 P34913 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL16232251 0.84 KMT2A (0.61) KMT2ASMN1; SMN2MEN1
SCHEMBL16227467 0.83 CTSS (0.59) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL16227142 0.82 CTSS (0.64) KMT2ASMN1; SMN2
SCHEMBL18856912 0.80 CNR1 (0.49) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL13812597 0.77 THRB (0.58) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL6716502 0.76 MEN1 (0.79) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL1437584 0.76 FFAR1 (0.65) KMT2AMEN1BCHEFFAR1FFAR4
SCHEMBL11612611 0.72 POLB (0.62) RAB9AKMT2AMEN1LMNA
SCHEMBL8575115 0.72 LTA4H (0.63) BCHEFFAR1FFAR4EPHX2
SCHEMBL9668580 0.72 EPHX2 (0.62) KMT2AMEN1BCHEFFAR1FFAR4

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-20140336503-A1 RADIOLABELED BIOMARKERS FOR OSTEOCLAST ACTIVATION AND RELATED METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-13 US disclosed
US-20140336503-A1 RADIOLABELED BIOMARKERS FOR OSTEOCLAST ACTIVATION AND RELATED METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-13 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-20140336503-A1 RADIOLABELED BIOMARKERS FOR OSTEOCLAST ACTIVATION AND RELATED METHODS THEREOF CTSK, CTSF, CTSB NPC1 270/4885RAB9A 509/4885KMT2A 3512/4885

“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.