SCHEMBL29516403

SCHEMBL29516403

O=C(CCCCCCSC(=O)CCc1ccccc1)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.67
▸ MAPT P10636 6/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ HPGD P15428 1/20 0.67
▸ KDM4E B2RXH2 4/20 0.62
▸ POLB P06746 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ PKM P14618 1/20 0.56
▸ PPP1CA P62136 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ADORA3 P0DMS8 2/20 0.53
▸ KDM4A O75164 1/20 0.53
▸ KDM4B O94953 1/20 0.53
▸ KDM5B Q9UGL1 1/20 0.53

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
SCHEMBL24359615 0.88 HDAC1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29516155 0.84 HDAC1 (0.64) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL29515970 0.84 HDAC1 (0.59) MEN1LMNAKMT2AGAAHDAC3
SCHEMBL29516132 0.84 HDAC1 (0.64) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL24359376 0.83 ALDH1A1 (0.66) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL29516051 0.83 ALDH1A1 (0.66) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL29516173 0.83 HDAC1 (0.66) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL29516174 0.82 HDAC1 (0.57) MAPTMEN1LMNAKMT2AHPGD
SCHEMBL29516151 0.82 HDAC1 (0.61) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL29516335 0.81 MEN1 (0.61) ALDH1A1MAPTMEN1LMNAKMT2A

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 13/4885MEN1 4296/4885

“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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