SCHEMBL29516418

SCHEMBL29516418

CC(=O)c1sc(NC(=O)CCCCCCSC(=O)CCc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RORC P51449 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL29516150 0.90 NPC1 (0.44) KMT2ANPC1ALDH1A1RAB9AHPGD
SCHEMBL29516297 0.88 ALDH1A1 (0.54) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29516396 0.88 ALDH1A1 (0.49) NPC1ALDH1A1RAB9AKDM4EPOLB
SCHEMBL24359464 0.79 HDAC1 (0.64) RAB9ASMN1; SMN2POLBMAPTHDAC3
SCHEMBL24359615 0.78 HDAC1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29516335 0.76 MEN1 (0.61) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29516107 0.76 MEN1 (0.59) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL24359463 0.76 MAOB (0.52) KMT2AALDH1A1RAB9AHPGDMEN1
SCHEMBL29516298 0.76 MAOB (0.52) KMT2AALDH1A1RAB9AHPGDMEN1
SCHEMBL24359465 0.74 ALDH1A1 (0.58) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD

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 KMT2A 3468/4885NPC1 146/4885ALDH1A1 1841/4885

“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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