SCHEMBL4824528

SCHEMBL4824528

CN(C)/C=C/c1[nH]c2ccc(Br)cc2c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 1/20 0.39
GSK3B P49841 3/20 0.36
PRNP P04156 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 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
SCHEMBL4824535 1.00 LMNA (0.40) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL4824418 0.83 KIF11 (0.40) LMNAHPGDKDRALDH1A1
SCHEMBL4824413 0.83 KIF11 (0.40) LMNAHPGDKDRALDH1A1
SCHEMBL4820035 0.81 ALDH1A1 (0.47) LMNAHPGDCYP1A2CYP2C19MAPT
SCHEMBL4820027 0.81 ALDH1A1 (0.47) LMNAHPGDCYP1A2CYP2C19MAPT
SCHEMBL29954657 0.77 LMNA (0.44) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL3198006 0.74 LMNA (0.51) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL16920112 0.71 PIM1 (0.46) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL29958082 0.71 LMNA (0.51) LMNAHPGDPIM1PIM3GSK3B
SCHEMBL28460398 0.71 PIM1 (0.46) LMNAHPGDPIM1PIM3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465738-B2 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-16 US disclosed
US-7465738-B2 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-16 US disclosed
US-7465738-B2 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-16 US disclosed
US-20050065173-A1 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED 2005-03-24 US disclosed
WO-2004113305-A2 DIAMINO SUBSTITUTED QUINAZOLINE DERIVATIVES AS PROMOTERS OF SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-29 WO disclosed
WO-2004113305-A2 DIAMINO SUBSTITUTED QUINAZOLINE DERIVATIVES AS PROMOTERS OF SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-29 WO 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-20050065173-A1 Compounds useful as promoters of SMN2 SMN1; SMN2, NSUN2, MECP2 LMNA 238/4885HPGD 2153/4885PIM1 4257/4885

“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.