SCHEMBL29516173

SCHEMBL29516173

O=C(CCCCCCSC(=O)CCCc1ccccc1)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.66
▸ HDAC6 Q9UBN7 8/20 0.66
▸ HDAC2 Q92769 7/20 0.66
▸ HDAC3 O15379 7/20 0.66
▸ HDAC9 Q9UKV0 7/20 0.66
▸ HDAC10 Q969S8 6/20 0.66
▸ HDAC4 P56524 5/20 0.66
▸ HDAC7 Q8WUI4 5/20 0.66
▸ HDAC11 Q96DB2 5/20 0.66
▸ HDAC8 Q9BY41 5/20 0.66
▸ HDAC5 Q9UQL6 5/20 0.66
▸ ELOVL1 Q9BW60 1/20 0.58
▸ PDE5A O76074 1/20 0.55
▸ PDE1A P54750 1/20 0.55
▸ PDE1B Q01064 1/20 0.55
▸ PDE1C Q14123 1/20 0.55
▸ MAPT P10636 1/20 0.54
▸ NTRK1 P04629 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP8 P22894 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 0.95 HDAC1 (0.67) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL24359487 0.90 HDAC1 (0.69) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL29516151 0.88 HDAC1 (0.61) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL29516155 0.88 HDAC1 (0.64) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL29515970 0.88 HDAC1 (0.59) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL29516132 0.88 HDAC1 (0.64) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL29516174 0.87 HDAC1 (0.57) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL29515953 0.86 MAPT (0.63) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL29516335 0.86 MEN1 (0.61) HDAC1HDAC6HDAC2HDAC3HDAC9
SCHEMBL29516107 0.86 MEN1 (0.59) HDAC1HDAC6HDAC2HDAC3HDAC9

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 HDAC1 1254/4885HDAC6 441/4885HDAC2 1592/4885

“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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