SCHEMBL21186286

SCHEMBL21186286

CCCCCCC(CC)Cc1c[nH]nn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 3/20 0.31
TSHR P16473 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5023555 0.74 KCNH2 (0.47) LMNAALDH1A1CYP3A4
SCHEMBL245886 0.74 KCNH2 (0.47) LMNAALDH1A1CYP3A4
SCHEMBL243705 0.74 KCNH2 (0.47) LMNAALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL27830421 0.71 KCNH2 (0.42) TDP1L3MBTL1
SCHEMBL22481049 0.70 NR1I2 (0.33) LMNA
SCHEMBL18647982 0.70 NR1I2 (0.33) LMNA
SCHEMBL18893329 0.69 LMNA (0.35) PRSS1PRSS2PRSS3LMNAALDH1A1
SCHEMBL22307304 0.69 KDM4E (0.38) PRSS1PRSS2PRSS3LMNAALDH1A1
SCHEMBL23380862 0.68 LMNA (0.37) PRSS1PRSS2PRSS3LMNA
SCHEMBL24643904 0.68 LMNA (0.37) PRSS1PRSS2PRSS3LMNA

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-11559590-B2 Granzyme B directed imaging and therapy THE GENERAL HOSPITAL CORPORATION (US) 2023-01-24 US disclosed
US-20190224348-A1 Granzyme B Directed Imaging and Therapy THE GENERAL HOSPITAL CORPORATION 2019-07-25 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 (2 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-11559590-B2 Granzyme B directed imaging and therapy GZMB, CTSB, PRF1 PRSS1 113/4885PRSS2 307/4885PRSS3 305/4885
US-20190224348-A1 Granzyme B Directed Imaging and Therapy GZMB, CTSB, PRF1 PRSS1 113/4885PRSS2 307/4885PRSS3 305/4885

“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.