SCHEMBL7799424

SCHEMBL7799424

COC(=O)CCC(=O)NCCc1cccc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7797441 0.85 ALDH1A1 (0.50) ALDH1A1KMT2ABACE1LMNA
SCHEMBL18989631 0.84 KDM4E (0.46) ALDH1A1POLBCYP1A2CYP2C19KMT2A
SCHEMBL12720789 0.84 SPR (0.52) ALDH1A1BACE1KDM4ELMNANPSR1
SCHEMBL3924027 0.75 ALDH1A1 (0.41) ALDH1A1POLBBACE1KDM4EMAPT
SCHEMBL16765682 0.75 NQO2 (0.50) ALDH1A1POLBKDM4ELMNANPSR1
SCHEMBL1291430 0.73 TAAR1 (0.66) ALDH1A1MEN1KMT2ATAAR1KDM4E
SCHEMBL7423549 0.71 EPHX2 (0.53) ALDH1A1TAAR1
SCHEMBL18381364 0.70 TSHR (0.36) ALDH1A1POLBCYP2C19MEN1KMT2A
SCHEMBL7796035 0.69 MAPT (0.40) ALDH1A1POLBCYP1A2CYP2C19KDM4E
SCHEMBL5174055 0.69 NOS1 (0.44) ALDH1A1CYP1A2CYP2C19BACE1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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 (1 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL ALDH1A1 2598/4885POLB 3939/4885CYP1A2 2358/4885

“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.