SCHEMBL6352157

SCHEMBL6352157

CCCN(CCC)[S+]([O-])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.42
KCNMA1 Q12791 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
AR P10275 1/20 0.41
PELP1 Q8IZL8 1/20 0.41
SLC2A1 P11166 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
G6PD P11413 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL6921175 0.91 SERPINE1 (0.49) LMNAKCNMA1
SCHEMBL6349508 0.72 AKR1C2 (0.49) LMNAKCNMA1
SCHEMBL6357624 0.71 CA12 (0.52) LMNAALDH1A1NPC1RAB9AMAPT
SCHEMBL6349527 0.70 ALDH1A1 (0.61) LMNAALDH1A1MEN1NPC1RAB9A
SCHEMBL6359043 0.69 CA12 (0.47) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL31549875 0.69 TDP1 (0.70) ALDH1A1MEN1KMT2AMAPT
SCHEMBL40265 0.69 TDP1 (0.70) ALDH1A1MEN1KMT2AMAPT
SCHEMBL417476 0.68 SERPINE1 (0.56) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5533137 0.68 MEN1 (0.57) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL16160854 0.68 LMNA (0.59) LMNAALDH1A1KCNMA1MEN1NPC1

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 LMNA 4552/4885ALDH1A1 462/4885KCNMA1 3819/4885

“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.