SCHEMBL15033596

SCHEMBL15033596

O=C(NCCSCc1ccccc1Cl)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
MAPT P10636 5/20 0.67
PKM P14618 1/20 0.67
HPGD P15428 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
LMNA P02545 4/20 0.60
HTT P42858 2/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL15023269 0.86 ALDH1A1 (0.61) ALDH1A1MAPTPKMHPGDSMN1; SMN2
SCHEMBL15033607 0.81 LMNA (0.68) ALDH1A1MAPTPKMHPGDSMN1; SMN2
SCHEMBL15033592 0.78 HPGD (0.53) ALDH1A1MAPTPKMHPGDSMN1; SMN2
SCHEMBL15033598 0.78 ALDH1A1 (0.61) ALDH1A1MAPTPKMHPGDSMN1; SMN2
SCHEMBL15033604 0.77 NPC1 (1.00) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL9492258 0.75 HPGD (0.78) HPGDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9492505 0.75 HPGD (0.78) HPGDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL27750343 0.75 NPC1 (0.68) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL27451737 0.75 NPC1 (0.68) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10792384 0.73 HPGD (0.81) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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-20130158112-A1 COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION CASE WESTERN RESERVE UNIVERSITY 2013-06-20 US disclosed
US-20130158112-A1 COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION CASE WESTERN RESERVE UNIVERSITY 2013-06-20 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-20130158112-A1 COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION IAPP, APP, BACE1 ALDH1A1 4152/4885MAPT 38/4885PKM 3261/4885

“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.