SCHEMBL14599583

SCHEMBL14599583

N=C(NCl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
ALDH1A1 P00352 5/20 0.60
TSHR P16473 4/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
TP53 P04637 1/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2227754 0.85 PRSS1 (0.63) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL3551362 0.83 PRSS1 (0.66) PRSS1PRSS2PRSS3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4399781 0.82 PRSS1 (0.69) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL4500365 0.81 KMT2A (0.69) ALDH1A1TSHRCES2CES1TP53
SCHEMBL24933536 0.80 ALDH1A1 (0.64) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL2762350 0.77 PRSS1 (0.96) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL2892439 0.77 ALDH1A1 (0.71) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL3414390 0.77 PRSS1 (0.61) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL4092998 0.76 CES2 (0.74) PRSS1PRSS2PRSS3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1262882 0.76 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1TSHR

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-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 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-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN PRSS1 2062/4885PRSS2 1749/4885PRSS3 1961/4885

“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.