SCHEMBL5405587

SCHEMBL5405587

Cc1cc(O)c2c(I)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
APEX1 P27695 1/20 0.41
CYP1A2 P05177 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
STAT3 P40763 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NCF1 P14598 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
C1R P00736 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11100714 0.81 MAPT (0.49) MAPTKMT2AMEN1APEX1CYP1A2
SCHEMBL5412870 0.80 MAPT (0.47) MAPTKMT2AMEN1APEX1CYP1A2
SCHEMBL4788222 0.79 PARP1 (0.46) MAPTKMT2AMEN1APEX1CYP1A2
SCHEMBL9180938 0.74 GAA (0.56) MAPTKMT2AMEN1APEX1CYP1A2
SCHEMBL30808346 0.72 ACHE (0.34) MAPTKMT2AGAAALDH1A1C1R
SCHEMBL27525072 0.71 MEN1 (0.37) MAPTKMT2AMEN1APEX1CYP1A2
SCHEMBL5404406 0.71 NCF1 (0.58) MAPTKMT2AMEN1CYP1A2L3MBTL1
SCHEMBL5409116 0.70 NCF1 (0.61) MAPTKMT2AMEN1CYP1A2L3MBTL1
SCHEMBL30199873 0.69 CYP1A2 (0.64) MAPTKMT2AMEN1CYP1A2L3MBTL1
SCHEMBL266459 0.69 CYP1A2 (0.64) MAPTKMT2AMEN1CYP1A2L3MBTL1

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 4262/4885KMT2A 2473/4885MEN1 581/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MAPT 4262/4885KMT2A 2473/4885MEN1 581/4885

“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.