SCHEMBL6502640

SCHEMBL6502640

Cc1cc(C(N)=O)ccc1C(=O)N(c1cc(C(=O)NCCCC(=N)N)n(CCC(C)C)c1)c1cc(C(=O)NCCCC(=N)N)n(CCC(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
F3 P13726 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
ATM Q13315 3/20 0.32
POLB P06746 3/20 0.32
THRB P10828 1/20 0.32
HRAS P01112 5/20 0.32
ESR1 P03372 5/20 0.32
ESR2 Q92731 5/20 0.32
TOP1 P11387 1/20 0.32
STING1 Q86WV6 2/20 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
SCHEMBL5889654 0.97 ITGB3 (0.37) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL6491631 0.81 LMNA (0.36) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL5889461 0.79 HRAS (0.46) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL6489771 0.77 HRAS (0.47) MEN1KMT2ASMN1; SMN2ITGB3ITGA2B
SCHEMBL5889643 0.76 HRAS (0.45) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL6486747 0.74 HRAS (0.46) MEN1KMT2AITGB3ITGA2BKDM4E
SCHEMBL5889573 0.72 HRAS (0.46) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL5889524 0.71 HRAS (0.42) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL5889526 0.71 HRAS (0.53) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL7253017 0.70 RPS6KA2 (0.33) MEN1KMT2ALMNASMN1; SMN2HTT

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-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 MEN1 68/4885KMT2A 4404/4885LMNA 3982/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 MEN1 68/4885KMT2A 4404/4885LMNA 3982/4885

“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.