SCHEMBL3567649

SCHEMBL3567649

C=CCN=Cc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 5/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PYCR1 P32322 1/20 0.35
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL29333030 1.00 NPC1 (0.41) NPC1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL3567647 1.00 NPC1 (0.41) NPC1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL20871102 0.79 RAB9A (0.52) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6888679 0.78 LMNA (0.48) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL8141068 0.78 LMNA (0.48) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL7603166 0.78 LMNA (0.48) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL17084272 0.78 KMT2A (0.47) NPC1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL20871364 0.77 ALDH1A1 (0.48) NPC1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL20871103 0.75 LMNA (0.49) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL22340415 0.75 ALDH1A1 (0.48) NPC1SMN1; SMN2LMNARAB9AKMT2A

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-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 NPC1 538/4885SMN1; SMN2 3642/4885LMNA 2285/4885

“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.