SCHEMBL2890448

SCHEMBL2890448

CCC(=N)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 4/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
TP53 P04637 1/20 0.57
TSHR P16473 3/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 2/20 0.52
KMO O15229 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL15961317 0.87 PRSS1 (0.58) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL211017 0.81 ALDH1A1 (0.67) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL2892439 0.81 ALDH1A1 (0.71) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL258588 0.81 PRSS1 (0.58) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL14290247 0.80 ALDH1A1 (0.60) PRSS1PRSS2PRSS3ALDH1A1CES2
Hydrochloric Acid SCHEMBL258587 0.80 PRSS1 (0.60) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL2762350 0.77 PRSS1 (0.96) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL7645485 0.77 ALDH1A1 (0.76) PRSS1PRSS2PRSS3ALDH1A1CES2
Alcohol SCHEMBL11784636 0.77 ALDH1A1 (0.87) PRSS1PRSS2PRSS3ALDH1A1CES2
Butane SCHEMBL27774502 0.77 TP53 (0.83) PRSS1PRSS2PRSS3ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 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-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 PRSS1 30/4885PRSS2 27/4885PRSS3 204/4885

“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.