SCHEMBL5403902

SCHEMBL5403902

Cc1cc(N2CCOCC2)c2c(I)cccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.63
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 4/20 0.48
USP2 O75604 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5404406 0.87 NCF1 (0.58) NCF1HSD17B10TSHRNPSR1MAPT
SCHEMBL5409116 0.86 NCF1 (0.61) NCF1HSD17B10TSHRNPSR1MAPT
SCHEMBL5093588 0.77 NCF1 (1.00) NCF1HSD17B10HPGDTSHRNPSR1
SCHEMBL5403893 0.77 NCF1 (0.54) NCF1HSD17B10HPGDTSHRNPSR1
SCHEMBL5400122 0.74 NCF1 (0.68) NCF1HSD17B10HPGDTSHRNPSR1
SCHEMBL28139118 0.71 NCF1 (0.69) NCF1HSD17B10HPGDMAPTUSP2
SCHEMBL5412870 0.70 MAPT (0.47) NCF1MAPTKMT2AMEN1POLB
SCHEMBL5405587 0.68 MAPT (0.41) NCF1HPGDMAPTKDM4EMAPK1
SCHEMBL5638029 0.68 NCF1 (0.63) NCF1HSD17B10TSHRNPSR1MAPT
SCHEMBL6642179 0.68 NCF1 (0.63) NCF1HSD17B10HPGDTSHRNPSR1

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 8 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
CN-1274676-C Quinoline and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2006-09-13 CN 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
CN-1444563-A Quinoline and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2003-09-24 CN 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 NCF1 1230/4885HSD17B10 4311/4885HPGD 2726/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885HSD17B10 4311/4885HPGD 2726/4885

“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.