SCHEMBL6046672

SCHEMBL6046672

NN(Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IDO1 P14902 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7152866 0.86 ALDH1A1 (0.52) ALDH1A1LMNATDP1
SCHEMBL27870496 0.84 ALDH1A1 (0.50) ALDH1A1LMNATDP1
SCHEMBL6046632 0.84 RAB9A (0.50) RAB9ANPC1ALDH1A1IDO1
SCHEMBL7367394 0.82 CRHBP (0.58) RAB9ACRHBPCRHR2NPC1ALDH1A1
SCHEMBL18045538 0.81 CRHBP (0.56) RAB9ACRHBPCRHR2NPC1ALDH1A1
SCHEMBL8716892 0.80 RAB9A (0.61) RAB9ACRHBPCRHR2NPC1ALDH1A1
SCHEMBL6151831 0.80 RAB9A (0.61) RAB9ACRHBPCRHR2NPC1ALDH1A1
SCHEMBL6645015 0.80 RAB9A (0.61) RAB9ACRHBPCRHR2NPC1ALDH1A1
SCHEMBL27448293 0.80 CRHBP (0.57) RAB9ACRHBPCRHR2NPC1ALDH1A1
SCHEMBL6469427 0.79 HTR2A (0.51) RAB9AALDH1A1SMN1; SMN2IDO1

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-20060281686-A1 Aza-peptides LABORATOIRES SERONO SA (CH) 2006-12-14 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-20060281686-A1 Aza-peptides APP, APBA1, IAPP RAB9A 3494/4885CRHBP 340/4885CRHR2 2889/4885

“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.