SCHEMBL3501084

SCHEMBL3501084

O=C(CNc1cc(-c2ccc(Cl)cc2)[nH]n1)Nc1cc(-c2cccs2)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.57
APP P05067 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NR1I2 O75469 1/20 0.53
AHR P35869 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46

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
SCHEMBL3500394 1.00 NPY5R (0.57) NPY5RAPPNPC1RAB9ANR1I2
SCHEMBL3501043 0.90 APP (0.72) NPY5RAPPAHRMAPTKMT2A
SCHEMBL3500395 0.90 APP (0.72) NPY5RAPPAHRMAPTKMT2A
SCHEMBL13312316 0.84 APP (0.78) NPY5RAPPNPC1RAB9ANR1I2
SCHEMBL14207634 0.84 NPY5R (0.49) NPY5RAPPNPC1RAB9ANR1I2
Hydrochloric Acid SCHEMBL3497967 0.83 APP (0.76) NPY5RAPPNPC1RAB9ANR1I2
SCHEMBL3500480 0.82 NPC1 (0.63) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL3500300 0.82 NPC1 (0.63) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL1666745 0.76 NPC1 (0.58) APPNPC1RAB9ANR1I2AHR
SCHEMBL3499690 0.76 NPY5R (0.55) NPY5RAPPNPC1RAB9ANR1I2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 NPY5R 352/4885APP 1/4885NPC1 161/4885

“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.