SCHEMBL13975752

SCHEMBL13975752

CCCCNC(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNA5 P22460 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 2/20 0.35
BCL2 P10415 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
SCHEMBL7910319 0.89 NPSR1 (0.46) SMN1; SMN2POLBL3MBTL1HDAC3HDAC1
SCHEMBL10538653 0.81 ESR1 (0.52) SMN1; SMN2POLBL3MBTL1HDAC3HDAC1
SCHEMBL11922815 0.81 KCNN4 (0.45) POLBL3MBTL1HDAC3HDAC1HDAC2
Bromide SCHEMBL28991574 0.79 KCNN4 (0.44) POLBL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL13965862 0.79 NPSR1 (0.44) SMN1; SMN2POLBL3MBTL1NPSR1LMNA
SCHEMBL27294490 0.79 NPSR1 (0.44) SMN1; SMN2POLBL3MBTL1NPSR1LMNA
SCHEMBL10232620 0.77 CYP1A2 (0.41) SMN1; SMN2POLBL3MBTL1HDAC3HDAC1
SCHEMBL29361985 0.75 SMN1; SMN2 (0.49) SMN1; SMN2POLBL3MBTL1HDAC3HDAC1
SCHEMBL27553464 0.75 CNR2 (0.43) SMN1; SMN2L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL28254515 0.75 ABL1 (0.43) SMN1; SMN2POLBL3MBTL1HDAC3HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SMN1; SMN2 4259/4885POLB 1461/4885L3MBTL1 1081/4885

“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.