SCHEMBL5409160

SCHEMBL5409160

CC(=O)c1ccc(-c2ccc3c(N4CCCC4)cc(C)nc3c2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.49
PGR P06401 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL5408413 0.82 MEN1 (0.46) PGRKMT2AMEN1CYP3A4CYP2A6
SCHEMBL7140923 0.82 NCF1 (0.46) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL5406740 0.81 NCF1 (0.53) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL5404498 0.81 NCF1 (0.55) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL5405074 0.77 NCF1 (0.56) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL5412918 0.76 MEN1 (0.57) NCF1KMT2AMEN1CYP3A4CYP2C19
SCHEMBL5412760 0.76 NCF1 (0.56) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL5412917 0.76 NCF1 (0.59) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL5397410 0.74 NCF1 (0.72) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL7146306 0.74 NCF1 (0.53) NCF1KMT2AMEN1ADRB2ADRB1

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
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP claimed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO claimed
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
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 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 (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 NCF1 1230/4885PGR 3688/4885KMT2A 2473/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885PGR 3688/4885KMT2A 2473/4885

“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.