SCHEMBL417569

SCHEMBL417569

COc1cccc(NC(=O)N2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 1.00
NPC1 O15118 2/20 1.00
HTT P42858 1/20 0.97
TSHR P16473 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.69
POLB P06746 1/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL27979642 0.93 HTT (0.89) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL20236314 0.87 HTT (0.80) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL20237168 0.87 HTT (0.80) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL20236298 0.86 HTT (0.78) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL5426206 0.86 HTT (0.78) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL2399513 0.86 HTT (0.78) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL22217863 0.85 HTT (0.76) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL20236816 0.84 HTT (0.74) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL20236931 0.84 HTT (0.74) RAB9ANPC1HTTTSHRSMN1; SMN2
SCHEMBL6394132 0.83 HTT (0.72) RAB9ANPC1HTTTSHRSMN1; SMN2

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-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB RAB9A 3958/4885NPC1 2626/4885HTT 2842/4885

“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.