SCHEMBL5896840

SCHEMBL5896840

CCN(N)C(=O)N(C(=O)c1cc2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc2[nH]1)c1ccc2cc[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
CNR1 P21554 2/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
BTK Q06187 1/20 0.33
HPN P05981 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL5897611 0.90 HDAC1 (0.35) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5896906 0.74 HRH3 (0.60) MMP2MMP13HRH3
SCHEMBL5896957 0.74 HRH3 (0.46) ITGB3ITGA2BHPNHRH3DGAT1
SCHEMBL5680308 0.70 HRAS (0.38) ITGB3ITGA2BBTKHPN
SCHEMBL20266986 0.70 HRH3 (0.52) ITGB3ITGA2BHRH3
SCHEMBL5897606 0.69 LEF1 (0.50) HDAC2ITGB3ITGA2B
SCHEMBL20289864 0.69 KDM4E (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5896908 0.69 HRH3 (0.42) HDAC1HDAC2MMP2MMP13ITGB3
SCHEMBL5896829 0.68 LEF1 (0.47) HDAC2ITGB3ITGA2B
SCHEMBL5896935 0.67 LEF1 (0.58) MMP13

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 2 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 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 HDAC1 227/4885HDAC2 750/4885HDAC3 468/4885

“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.