SCHEMBL804948

SCHEMBL804948

CN(C)c1ccc(-c2cn3c(n2)sc2cc([N+](=O)[O-])ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
LMNA P02545 5/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
F2RL3 Q96RI0 1/20 0.43
MBD2 Q9UBB5 1/20 0.43
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41

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
Bromide SCHEMBL3863593 0.87 LMNA (0.55) APPLMNAMAPTTP53RAB9A
SCHEMBL28419499 0.85 FLT3 (0.47) APPLMNAMAPTTP53RAB9A
SCHEMBL13198325 0.85 TP53 (0.64) APPLMNAMAPTTP53RAB9A
SCHEMBL29056678 0.83 LMNA (0.49) LMNAMAPTTP53RAB9ATSHR
SCHEMBL29924814 0.83 LMNA (0.49) LMNAMAPTTP53RAB9ATSHR
SCHEMBL13539252 0.83 LMNA (0.53) APPLMNAMAPTTP53RAB9A
SCHEMBL29925273 0.83 LMNA (0.48) LMNAMAPTTP53TSHRRXFP1
SCHEMBL29925137 0.82 LMNA (0.53) APPLMNAMAPTTP53RXFP1
SCHEMBL29056718 0.82 LMNA (0.53) APPLMNAMAPTTP53RXFP1
SCHEMBL3049440 0.82 LMNA (0.53) APPLMNAMAPTTP53RAB9A

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-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2012-03-22 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-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides IAPP, APP, HTT APP 2/4885LMNA 1196/4885MAPT 10/4885

“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.