SCHEMBL4874436

SCHEMBL4874436

C=CCN(C(=O)OCc1ccccc1)c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL4868910 0.90 ALDH1A1 (0.48) CCR5RAB9ANPC1MAPTALDH1A1
SCHEMBL2528439 0.90 ALDH1A1 (0.40) CCR5RAB9ANPC1MAPTALDH1A1
SCHEMBL2526958 0.83 ALDH1A1 (0.41) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL5285282 0.82 ALOX5 (0.41) RAB9ANPC1MAPTALDH1A1ATM
SCHEMBL2526914 0.81 TSHR (0.41) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL2528124 0.81 TSHR (0.49) RAB9ANPC1MAPTALDH1A1ATM
SCHEMBL2530897 0.81 ALDH1A1 (0.43) CCR5MAPTALDH1A1MEN1KMT2A
SCHEMBL4874179 0.80 ALDH1A1 (0.42) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL4877059 0.80 MEN1 (0.39) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL4872653 0.78 ALDH1A1 (0.40) RAB9AMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP CCR5 2413/4885RAB9A 2224/4885NPC1 41/4885

“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.