SCHEMBL29516047

SCHEMBL29516047

CC(C)N(C)CCCCCCC(=O)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ MAPT P10636 5/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ LMNA P02545 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ PKM P14618 1/20 0.61
▸ PPP1CA P62136 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ADORA3 P0DMS8 3/20 0.52
▸ KDM4A O75164 1/20 0.52
▸ KDM4B O94953 1/20 0.52
▸ KDM5B Q9UGL1 1/20 0.52
▸ CCR6 P51684 2/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL24359720 1.00 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL24359609 0.87 HDAC1 (0.69) ALDH1A1MAPTPKMALOX15HDAC3
SCHEMBL29516051 0.81 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL24359376 0.81 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL24359485 0.76 LMNA (0.55) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL24359484 0.76 MAPT (0.67) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL31158400 0.76 MAPT (0.49) MAPTPOLBGAATDP1LMNA
SCHEMBL24359481 0.76 MAPT (0.49) MAPTPOLBGAATDP1LMNA
SCHEMBL29516403 0.74 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL21241884 0.74 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327427-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2024-10-03 — — US disclosed
WO-2022087456-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 — — 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-20240327427-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN2, PSEN1, CHAT ALDH1A1 1841/4885MAPT 13/4885KDM4E 3865/4885

“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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