SCHEMBL5044124

SCHEMBL5044124

C=C(Cc1ccccc1)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
EPHX2 P34913 1/20 0.49
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL257816 0.80 EPHX2 (0.76) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4400371 0.79 CA12 (0.54) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL5034247 0.78 POLB (0.55) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL7628959 0.76 CES1 (0.48) ALDH1A1MEN1KMT2AEPHX2HPGD
SCHEMBL4909826 0.76 NPC1 (0.64) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL28351411 0.74 HDAC8 (0.59) ALDH1A1MEN1KMT2AEPHX2MAPK1
SCHEMBL9312345 0.73 EPHX2 (0.76) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL8680610 0.73 CES1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AEPHX2
SCHEMBL28357095 0.73 HTT (0.50) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL6850999 0.73 KDM4E (0.79) SMN1; SMN2RAB9AALDH1A1NPC1MAPT

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 SMN1; SMN2 2023/4885RAB9A 1020/4885ALDH1A1 1510/4885

“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.