SCHEMBL5405074

SCHEMBL5405074

Cc1cc(N2CCCC2)c2ccc(-c3cccs3)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
PRKDC P78527 2/20 0.46
RECQL P46063 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
NPY5R Q15761 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
GBA1 P04062 1/20 0.41
NTSR1 P30989 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NLRP3 Q96P20 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 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
SCHEMBL5412917 0.99 NCF1 (0.59) NCF1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5397410 0.81 NCF1 (0.72) NCF1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5397682 0.81 NPY5R (0.58) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL5412760 0.80 NCF1 (0.56) NCF1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5401181 0.80 NCF1 (0.74) NCF1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5401115 0.79 NCF1 (0.54) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5411904 0.79 NCF1 (0.64) NCF1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5409160 0.77 NCF1 (0.49) NCF1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5404944 0.77 NCF1 (0.58) NCF1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5401526 0.77 NCF1 (0.58) NCF1MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US claimed
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
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US 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
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 1230/4885MEN1 581/4885KMT2A 2473/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885MEN1 581/4885KMT2A 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.