SCHEMBL5404498

SCHEMBL5404498

CC(=O)c1ccc(-c2ccc3c(N4CCCCC4)cc(C)nc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.55
EGLN1 Q9GZT9 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
NPY5R Q15761 1/20 0.42
PTGS2 P35354 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CDK2 P24941 1/20 0.41
PRKCZ Q05513 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
GBA1 P04062 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
SCHEMBL5406740 0.99 NCF1 (0.53) NCF1EGLN1MEN1KMT2AMAPT
SCHEMBL5394892 0.88 NCF1 (0.57) NCF1MEN1KMT2AMAPTPTGS2
SCHEMBL5420552 0.86 NCF1 (0.50) NCF1EGLN1MEN1KMT2AMAPT
SCHEMBL5397608 0.84 SIRT2 (0.48) NCF1MEN1KMT2AMAPT
SCHEMBL5412918 0.84 MEN1 (0.57) NCF1MEN1KMT2AMAPTCDK2
SCHEMBL5401181 0.84 NCF1 (0.74) NCF1EGLN1MEN1KMT2AMAPT
SCHEMBL27574129 0.83 NCF1 (0.52) NCF1EGLN1MEN1KMT2AMAPT
SCHEMBL5397410 0.82 NCF1 (0.72) NCF1EGLN1MEN1KMT2AMAPT
SCHEMBL27550363 0.81 NCF1 (0.59) NCF1EGLN1MEN1KMT2AMAPT
SCHEMBL5518457 0.81 NCF1 (0.62) NCF1MEN1KMT2AMAPTNPY5R

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-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US claimed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US 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 1230/4885EGLN1 1248/4885MEN1 581/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885EGLN1 1248/4885MEN1 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.