SCHEMBL5896871

SCHEMBL5896871

C/N=C(/NC)NCCCNC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)NCCCN/C(=N\C)NC)cc4c3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
KDM4E B2RXH2 2/20 0.46
PLD2 O14939 1/20 0.45
PLD1 Q13393 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HDAC2 Q92769 2/20 0.44
NHERF1 O14745 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
AKR1C3 P42330 1/20 0.43
EGFR P00533 1/20 0.43
PIK3CA P42336 1/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL5677479 0.99 ITGB3 (0.46) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL5896977 0.95 ITGB3 (0.44) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL6809873 0.94 ITGB3 (0.43) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL5677289 0.86 ITGB3 (0.53) ITGB3ITGA2BKDM4EPLD2PLD1
Hydrochloric Acid SCHEMBL6809892 0.83 HDAC2 (0.44) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL5677017 0.82 ITGB3 (0.49) ITGB3ITGA2BKDM4EALDH1A1MAPT
SCHEMBL5896860 0.82 ITGB3 (0.50) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL5677265 0.80 ITGB3 (0.54) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL5889693 0.80 HRH4 (0.56) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL5889839 0.79 HDAC2 (0.56) ITGB3ITGA2BKDM4EPLD2PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US claimed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 US claimed
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 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 (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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L ITGB3 4436/4885ITGA2B 4759/4885KDM4E 986/4885

“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.