SCHEMBL5034247

SCHEMBL5034247

C=C(CC)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.52
TGM2 P21980 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46
KIF11 P52732 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL26785462 0.91 NPC1 (0.46) POLBNPC1RAB9AKDM4ETDP1
SCHEMBL15661401 0.83 MAPT (0.53) NPC1RAB9AKDM4ESMN1; SMN2KMT2A
SCHEMBL25433129 0.80 MDM2 (0.52) RAB9AKDM4ESMN1; SMN2HTTKMT2A
SCHEMBL6850999 0.80 KDM4E (0.79) POLBNPC1RAB9AKDM4ETDP1
SCHEMBL959539 0.79 RXFP1 (0.65) POLBNPC1RAB9AKDM4ETDP1
SCHEMBL5044124 0.78 SMN1; SMN2 (0.50) POLBNPC1RAB9AKDM4ETDP1
SCHEMBL10717689 0.77 RAB9A (0.58) POLBNPC1RAB9AKDM4ETDP1
SCHEMBL10718747 0.77 NPC1 (0.58) POLBNPC1RAB9AKDM4ETDP1
SCHEMBL25713830 0.77 NPC1 (0.58) POLBNPC1RAB9AKDM4ETDP1
SCHEMBL2625088 0.76 POLB (0.76) POLBRAB9ATDP1SMN1; SMN2HTT

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 POLB 2621/4885NPC1 1409/4885RAB9A 1020/4885

“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.