SCHEMBL4629261

SCHEMBL4629261

N=C(NC(=O)c1cc(Cl)ccc1Cl)N1CCc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.50
SPR P35270 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL6775299 0.79 SIGMAR1 (0.50) SMN1; SMN2NPC1MAPTRAB9ASPR
SCHEMBL7103364 0.77 TAS1R3 (0.53) SMN1; SMN2NPC1MAPTRAB9ASPR
SCHEMBL4629264 0.75 SCN2A (0.58) SMN1; SMN2NPC1MAPTRAB9AKMT2A
SCHEMBL4629258 0.74 RAB9A (0.65) SMN1; SMN2NPC1MAPTRAB9AKMT2A
SCHEMBL7100142 0.73 SIGMAR1 (0.55) SMN1; SMN2NPC1MAPTRAB9AKMT2A
SCHEMBL6765702 0.73 SIGMAR1 (0.51) SMN1; SMN2NPC1MAPTRAB9ASPR
SCHEMBL8559859 0.72 AVPR2 (0.55)
SCHEMBL7106080 0.72 SIGMAR1 (0.54) SMN1; SMN2NPC1MAPTRAB9AKMT2A
SCHEMBL28271843 0.71 RAB9A (0.63) RAB9AALDH1A1TP53LMNA
SCHEMBL28163452 0.71 NPC1 (0.68) SMN1; SMN2NPC1MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SMN1; SMN2 53/4885NPC1 140/4885MAPT 705/4885

“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.