SCHEMBL5037684

SCHEMBL5037684

CCCN(CCC)C(=O)c1cccc(C(=O)Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.51
BACE1 P56817 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
MLYCD O95822 1/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL9361376 0.91 TP53 (0.60) HPGDALDH1A1TP53BACE1TDP1
SCHEMBL16005309 0.86 HPGD (0.67) HPGDALDH1A1TDP1TSHRMEN1
SCHEMBL2206424 0.85 TP53 (0.53) HPGDALDH1A1TP53BACE1TDP1
SCHEMBL14258610 0.83 TP53 (0.51) HPGDALDH1A1TP53BACE1TDP1
SCHEMBL2206850 0.83 TP53 (0.51) HPGDALDH1A1TP53BACE1TDP1
SCHEMBL13911266 0.83 HPGD (0.73) HPGDALDH1A1TP53BACE1TDP1
Hydrochloric Acid SCHEMBL5037688 0.83 TP53 (0.51) HPGDALDH1A1TP53BACE1TDP1
SCHEMBL5348962 0.83 BACE1 (0.50) HPGDALDH1A1TP53BACE1TDP1
Hydrochloric Acid SCHEMBL3355966 0.82 TP53 (0.50) HPGDALDH1A1TP53BACE1TDP1
Hydrochloric Acid SCHEMBL3352609 0.82 TP53 (0.50) HPGDALDH1A1TP53BACE1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1685142-A1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-08-02 EP disclosed
WO-2005044830-A1 PHOSPHINIC ACIDS DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 HPGD 2689/4885ALDH1A1 1510/4885TP53 1561/4885

“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.