SCHEMBL15033604

SCHEMBL15033604

O=C(NCCSc1ccccc1)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
HPGD P15428 6/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
RECQL P46063 1/20 0.65
MAPT P10636 1/20 0.60
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
POLB P06746 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL2989489 0.79 NPC1 (0.71) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL1520287 0.78 NPC1 (0.69) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL27750343 0.77 NPC1 (0.68) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL27451737 0.77 NPC1 (0.68) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL9492258 0.77 HPGD (0.78) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL9492505 0.77 HPGD (0.78) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL7603136 0.77 MTNR1A (0.73) NPC1RAB9AHPGDSMN1; SMN2RECQL
SCHEMBL15033596 0.77 ALDH1A1 (0.67) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL8288031 0.76 NPC1 (0.70) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL6356707 0.76 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2MAPT

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 NPC1 328/4885RAB9A 2823/4885HPGD 3327/4885

“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.