SCHEMBL6251031

SCHEMBL6251031

COc1ccc(C(NC(=O)C(C)(Cc2ccccc2)Nc2nc(-c3ccc([N+](=O)[O-])cc3)co2)C2CCCCC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.37
▸ MAPT P10636 6/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.35
▸ FPR1 P21462 1/20 0.34
▸ NMBR P28336 1/20 0.34
▸ GRPR P30550 1/20 0.34
▸ PLTP P55058 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ PSD A5PKW4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SGK1 O00141 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL6994303 1.00 ALDH1A1 (0.37) ALDH1A1MAPTNPSR1FPR1NMBR
SCHEMBL6255331 0.89 MEN1 (0.34) ALDH1A1MAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL6252251 0.88 NMBR (0.48) FPR1NMBRGRPR
SCHEMBL6251353 0.83 MEN1 (0.35) ALDH1A1VCPMEN1KMT2A
SCHEMBL6253307 0.81 TACR1 (0.41) MAPTFPR1NMBRGRPR
SCHEMBL6251024 0.80 NMBR (0.55) ALDH1A1MAPTNPSR1FPR1NMBR
SCHEMBL6254936 0.80 NMBR (0.55) ALDH1A1MAPTNPSR1FPR1NMBR
SCHEMBL6253540 0.78 NMBR (0.38) MAPTFPR1NMBRGRPR
SCHEMBL6252297 0.77 NMBR (0.48) MAPTFPR1NMBRGRPRMEN1
SCHEMBL6990221 0.77 NMBR (0.48) MAPTFPR1NMBRGRPRMEN1

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
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 — — EP claimed
US-20040110768-A1 Bombesin receptor antagonists WARNER-LAMBERT COMPANY LLC 2004-06-10 — — US claimed
US-20020169101-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-11-14 — — US claimed
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 — — EP disclosed
US-20040110768-A1 Bombesin receptor antagonists WARNER-LAMBERT COMPANY LLC 2004-06-10 — — US disclosed
US-20040087561-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY LLC 2004-05-06 — — US disclosed
US-20020169101-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-11-14 — — US disclosed
US-20020058606-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-05-16 — — 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 (4 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-20020058606-A1 Treatment of sexual dysfunction BRS3, GNRHR, VIPR2 ALDH1A1 4719/4885MAPT 4579/4885NPSR1 20/4885
US-20040110768-A1 Bombesin receptor antagonists NPY1R, BDKRB1, NPY2R ALDH1A1 4738/4885MAPT 4546/4885NPSR1 23/4885
US-20040087561-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 ALDH1A1 3614/4885MAPT 4738/4885NPSR1 43/4885
US-20020169101-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 ALDH1A1 3614/4885MAPT 4738/4885NPSR1 43/4885

“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.

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