SCHEMBL5401985

SCHEMBL5401985

COc1ccc(-c2ccc3c(N4CCCC4)cc(C)nc3c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
NTSR1 P30989 1/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMPD3 Q9NY59 2/20 0.56
NCF1 P14598 4/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
GAK O14976 3/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL5412459 0.89 NCF1 (0.51) KDM4EMAPTSMN1; SMN2TDP1NTSR1
SCHEMBL5394879 0.89 NCF1 (0.51) KDM4EMAPTSMN1; SMN2TDP1NTSR1
SCHEMBL5405102 0.86 NCF1 (0.56) KDM4EMAPTSMN1; SMN2NCF1KMT2A
SCHEMBL5402285 0.85 NCF1 (0.58) KDM4EMAPTSMN1; SMN2NCF1KMT2A
SCHEMBL5409070 0.84 NCF1 (0.57) KDM4EMAPTSMN1; SMN2TDP1NTSR1
SCHEMBL5405430 0.83 NCF1 (0.50) KDM4EMAPTSMN1; SMN2TDP1NTSR1
SCHEMBL5412027 0.83 NCF1 (0.55) KDM4EMAPTTDP1L3MBTL1NCF1
SCHEMBL5397410 0.82 NCF1 (0.72) KDM4EMAPTSMN1; SMN2RECQLL3MBTL1
SCHEMBL5401181 0.81 NCF1 (0.74) KDM4EMAPTSMN1; SMN2RECQLL3MBTL1
SCHEMBL5036263 0.80 NCF1 (0.61) KDM4EMAPTNCF1KMT2AMEN1

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 KDM4E 1426/4885MAPT 4262/4885SMN1; SMN2 4342/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R KDM4E 1426/4885MAPT 4262/4885SMN1; SMN2 4342/4885

“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.