SCHEMBL5038634

SCHEMBL5038634

C=CC(=O)Nc1ccc(C)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.66
▸ MAPT P10636 1/20 0.66
▸ KDM4E B2RXH2 4/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TGM2 P21980 1/20 0.56
▸ NPC1 O15118 7/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ EPHB4 P54760 3/20 0.52
▸ TEK Q02763 3/20 0.51
▸ KDR P35968 1/20 0.51
▸ CCNK O75909 1/20 0.51
▸ CDK12 Q9NYV4 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ GLA P06280 1/20 0.50

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
SCHEMBL2636192 0.80 RAB9A (0.78) RAB9AMAPTKDM4ELMNANPC1
SCHEMBL22455502 0.79 L3MBTL1 (0.66) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL18285086 0.79 NPC1 (0.61) RAB9ALMNATGM2NPC1SMN1; SMN2
SCHEMBL30385861 0.79 TGM2 (0.59) RAB9ALMNATGM2NPC1EPHB4
SCHEMBL423961 0.78 RAB9A (0.75) RAB9AMAPTKDM4ELMNANPC1
SCHEMBL23003014 0.78 MAPK1 (0.53) KDM4ETGM2EPHB4TEKKDR
SCHEMBL21678139 0.77 RAB9A (0.72) RAB9AMAPTKDM4ELMNANPC1
SCHEMBL5034164 0.77 RAB9A (0.72) RAB9AMAPTKDM4ELMNANPC1
SCHEMBL25713840 0.76 EGFR (0.48) TGM2EPHB4TEKKDR
Lithium Ion SCHEMBL23003033 0.76 TEK (0.48) TGM2EPHB4TEKKDRCCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
CN-100497355-C Hypophosphorous acid derivatives as beta-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2009-06-10 — — CN disclosed
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
CN-1878781-A Hypophosphorous acid derivatives as beta-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2006-12-13 — — CN 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 RAB9A 1020/4885MAPT 740/4885KDM4E 3048/4885

“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.

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