SCHEMBL5404380

SCHEMBL5404380

CCOC(=O)/C=C(/C)Nc1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 5/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
CCR6 P51684 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 3/20 0.43
TP53 P04637 2/20 0.43
SYK P43405 1/20 0.42
TSHR P16473 1/20 0.40

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
SCHEMBL5404383 1.00 MAPT (0.46) MAPTALDH1A1NPC1NPSR1KMT2A
SCHEMBL2886489 0.86 HSD17B10 (0.55) MAPTALDH1A1NPC1NPSR1KMT2A
SCHEMBL2886492 0.86 HSD17B10 (0.55) MAPTALDH1A1NPC1NPSR1KMT2A
SCHEMBL11715589 0.84 SMN1; SMN2 (0.49) MAPTALDH1A1NPC1NPSR1KMT2A
SCHEMBL11715604 0.84 SMN1; SMN2 (0.49) MAPTALDH1A1NPC1NPSR1KMT2A
SCHEMBL1717228 0.83 MAPT (0.51) MAPTALDH1A1NPC1KMT2AHPGD
SCHEMBL1717226 0.83 MAPT (0.51) MAPTALDH1A1NPC1KMT2AHPGD
SCHEMBL1974848 0.83 MAPT (0.51) MAPTALDH1A1NPC1KMT2AHPGD
SCHEMBL11723450 0.83 SMN1; SMN2 (0.54) MAPTALDH1A1NPC1NPSR1KMT2A
SCHEMBL11723465 0.83 SMN1; SMN2 (0.54) MAPTALDH1A1NPC1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265125-B2 Neuropeptide Y antagonists HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050176698-A1 Neuropeptide Y antagonists BREU VOLKER (DE) 2005-08-11 US disclosed
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP disclosed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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 (2 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-20050176698-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MAPT 4262/4885ALDH1A1 4857/4885NPC1 3113/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MAPT 4262/4885ALDH1A1 4857/4885NPC1 3113/4885

“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.